CAS
929302-01-2 Purity
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929302-01-2 Purity
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5-Isopropyl-1H-pyrazole-3-carboxylic acid
CAS
92933-47-6
Catalog Number
ACM92933476
Category
Other Products
Molecular Weight
154.17
Molecular Formula
C7H10N2O2
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Specification
Synonyms
ChemDiv2_003364, Oprea1_070012, Oprea1_115867, MLS000067212, 644889_ALDRICH, ALBB-005265, ZERO/006325, 3-Isopropylpyrazole-5-carboxylic acid, 5-Isopropyl-2H-pyrazole-3-carboxylic acid, BAS 15375081, SMR000124646, 5-isopropyl-1H-pyrazole-3-carboxylic acid, 92933-47-6
IUPAC Name
5-propan-2-yl-1H-pyrazole-3-carboxylic acid
Canonical SMILES
CC(C)C1=CC(=NN1)C(=O)O
InChI Key
CHWXKAHFWLSLOQ-UHFFFAOYSA-N
Boiling Point
357.8ºC at 760 mmHg
Melting Point
153-157ºC(lit.)
Flash Point
170.2ºC
Density
1.247g/cm³
Exact Mass
154.07400
Hazard Statements
Xi
H-Bond Acceptor
4
H-Bond Donor
2
Safety Description
36/37
WGK Germany
3
What is the molecular formula of 5-Isopropyl-1H-pyrazole-3-carboxylic acid?
The molecular formula is C7H10N2O2.
What is the molecular weight of 5-Isopropyl-1H-pyrazole-3-carboxylic acid?
The molecular weight is 154.17 g/mol.
What are some synonyms for 5-Isopropyl-1H-pyrazole-3-carboxylic acid?
Some synonyms include 5-isopropyl-2H-pyrazole-3-carboxylic acid and 3-isopropyl-1H-pyrazole-5-carboxylic acid.
What is the IUPAC name of 5-Isopropyl-1H-pyrazole-3-carboxylic acid?
The IUPAC name is 5-propan-2-yl-1H-pyrazole-3-carboxylic acid.
What is the InChIKey of 5-Isopropyl-1H-pyrazole-3-carboxylic acid?
The InChIKey is CHWXKAHFWLSLOQ-UHFFFAOYSA-N.
How many hydrogen bond donor counts are there in 5-Isopropyl-1H-pyrazole-3-carboxylic acid?
There are 2 hydrogen bond donor counts.
What is the XLogP3-AA value of 5-Isopropyl-1H-pyrazole-3-carboxylic acid?
The XLogP3-AA value is 1.2.
What is the topological polar surface area of 5-Isopropyl-1H-pyrazole-3-carboxylic acid?
The topological polar surface area is 66.2.
How many rotatable bond counts are there in 5-Isopropyl-1H-pyrazole-3-carboxylic acid?
There are 2 rotatable bond counts.
Is 5-Isopropyl-1H-pyrazole-3-carboxylic acid a canonicalized compound?
Yes, it is a canonicalized compound.
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