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Structure

4-Bromo-1H-pyrazole-3-carboxamide

CAS
932-65-0
Catalog Number
ACM932650
Category
Other Products
Molecular Weight
189.998060 [g/mol]
Molecular Formula
C4H4BrN3O

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Specification

Synonyms
4-BROMO-1H-PYRAZOLE-3-CARBOXAMIDE, 932-65-0, SureCN2385331, CTK5H2244, MolPort-008-154-397, MolPort-020-179-967, 4-bromo-2H-pyrazole-3-carboxamide, ALBB-013426, ANW-50123, AKOS005174132, AKOS015834370, AG-H-81219, RP24849, AK-39986, BR-39986, KB-72108, QC-10379, FT-0687723, W9599
IUPAC Name
4-bromo-1H-pyrazole-5-carboxamide
Canonical SMILES
C1=NNC(=C1Br)C(=O)N
InChI Key
OVJPKNPBZYQCTR-UHFFFAOYSA-N
Exact Mass
188.95400
H-Bond Acceptor
2
H-Bond Donor
2
What is the molecular formula of 4-Bromo-1H-pyrazole-3-carboxamide?

The molecular formula is C4H4BrN3O.

When was the compound created and modified in PubChem?

It was created on 2007-12-06 and modified on 2023-12-30.

What is the IUPAC name of the compound?

The IUPAC name is 4-bromo-1H-pyrazole-5-carboxamide.

What is the InChI of the compound?

The InChI is InChI=1S/C4H4BrN3O/c5-2-1-7-8-3(2)4(6)9/h1H,(H2,6,9)(H,7,8).

What is the InChIKey of the compound?

The InChIKey is OVJPKNPBZYQCTR-UHFFFAOYSA-N.

How many hydrogen bond donor counts does the compound have?

It has 2 hydrogen bond donor counts.

What is the exact mass of the compound?

The exact mass is 188.95377 g/mol.

How many heavy atoms are present in the compound?

There are 9 heavy atoms present.

Is the compound canonicalized?

Yes, the compound is canonicalized.

What is the topological polar surface area of the compound?

The topological polar surface area is 71.8Ų.

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