Pyrazolo[1,5-a]pyrimidine-6-carboxylicacid,4,7-dihydro-2-methyl-7-oxo-,ethyl ester

Name: Pyrazolo[1,5-a]pyrimidine-6-carboxylicacid,4,7-dihydro-2-methyl-7-oxo-,ethyl ester
SKU: ACM99056356
Rating: 5 (1 reviews)

CAS

99056-35-6

Catalog Number

ACM99056356

Category

Other Products

Molecular Weight

221.21

Molecular Formula

C₁₀H₁₁N₃O₃

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Specification

Synonyms

ETHYL 2-METHYL-7-OXO-4,7-DIHYDROPYRAZOLO[1,5-A]PYRIMIDINE-6-CARBOXYLATE;ETHYL 7-METHYL-1H-PYRAZOLO(1,5-A)PYRIMIDIN-4-OXO-3-CARBOXYLATE

IUPAC Name

ethyl 2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylate

Canonical SMILES

CCOC(=O)C1=CN=C2C=C(NN2C1=O)C

InChI Key

NFRGFILWUWNCOQ-UHFFFAOYSA-N

Boiling Point

373.6ºC at 760mmHg

Flash Point

179.7ºC

Density

1.41g/cm³

Exact Mass

221.08000

Hazard Statements

Xi: Irritant;

H-Bond Acceptor

H-Bond Donor

What is the molecular formula of Pyrazolo[1,5-a]pyrimidine-6-carboxylicacid,4,7-dihydro-2-methyl-7-oxo-,ethyl ester?

The molecular formula is C10H11N3O3.

What is the molecular weight of Pyrazolo[1,5-a]pyrimidine-6-carboxylicacid,4,7-dihydro-2-methyl-7-oxo-,ethyl ester?

The molecular weight is 221.21 g/mol.

What is the IUPAC name of Pyrazolo[1,5-a]pyrimidine-6-carboxylicacid,4,7-dihydro-2-methyl-7-oxo-,ethyl ester?

The IUPAC name is ethyl 2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylate.

What is the InChI of Pyrazolo[1,5-a]pyrimidine-6-carboxylicacid,4,7-dihydro-2-methyl-7-oxo-,ethyl ester?

The InChI is InChI=1S/C10H11N3O3/c1-3-16-10(15)7-5-11-8-4-6(2)12-13(8)9(7)14/h4-5,12H,3H2,1-2H3.

What is the InChIKey of Pyrazolo[1,5-a]pyrimidine-6-carboxylicacid,4,7-dihydro-2-methyl-7-oxo-,ethyl ester?

The InChIKey is NFRGFILWUWNCOQ-UHFFFAOYSA-N.

What is the Canonical SMILES of Pyrazolo[1,5-a]pyrimidine-6-carboxylicacid,4,7-dihydro-2-methyl-7-oxo-,ethyl ester?

The Canonical SMILES is CCOC(=O)C1=CN=C2C=C(NN2C1=O)C.

How many hydrogen bond donor counts are there in Pyrazolo[1,5-a]pyrimidine-6-carboxylicacid,4,7-dihydro-2-methyl-7-oxo-,ethyl ester?

There is 1 hydrogen bond donor count.

How many hydrogen bond acceptor counts are there in Pyrazolo[1,5-a]pyrimidine-6-carboxylicacid,4,7-dihydro-2-methyl-7-oxo-,ethyl ester?

There are 5 hydrogen bond acceptor counts.

What is the XLogP3-AA value of Pyrazolo[1,5-a]pyrimidine-6-carboxylicacid,4,7-dihydro-2-methyl-7-oxo-,ethyl ester?

The XLogP3-AA value is 0.5.

Is Pyrazolo[1,5-a]pyrimidine-6-carboxylicacid,4,7-dihydro-2-methyl-7-oxo-,ethyl ester a canonicalized compound?

Yes, it is a canonicalized compound.