4-bromo-N-cyclopropyl-1,3-dimethylpyrazole-5-carboxamide

C9H12BrN3O — CID 19577803

IUPAC4-bromo-N-cyclopropyl-1,3-dimethylpyrazole-5-carboxamide
SMILESCc1nn(C)c(C(=O)NC2CC2)c1Br
InChIInChI=1S/C9H12BrN3O/c1-5-7(10)8(13(2)12-5)9(14)11-6-3-4-6/h6H,3-4H2,1-2H3,(H,11,14)
InChIKeyVRYAWOTWXMVBDO-UHFFFAOYSA-N
MW258.12 g/mol
LogP1.38
Rot. Bonds2

About 4-bromo-N-cyclopropyl-1,3-dimethylpyrazole-5-carboxamide

4-bromo-N-cyclopropyl-1,3-dimethylpyrazole-5-carboxamide (PubChem CID 19577803) has the molecular formula C9H12BrN3O and a molecular weight of 258.12 g/mol. Its IUPAC name is 4-bromo-N-cyclopropyl-1,3-dimethylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-bromo-N-cyclopropyl-1,3-dimethylpyrazole-5-carboxamide
PubChem CID19577803
Molecular FormulaC9H12BrN3O
Molecular Weight258.12 g/mol
Exact Mass257.02
IUPAC Name4-bromo-N-cyclopropyl-1,3-dimethylpyrazole-5-carboxamide
SMILESCc1nn(C)c(C(=O)NC2CC2)c1Br
InChIInChI=1S/C9H12BrN3O/c1-5-7(10)8(13(2)12-5)9(14)11-6-3-4-6/h6H,3-4H2,1-2H3,(H,11,14)
InChIKeyVRYAWOTWXMVBDO-UHFFFAOYSA-N
XLogP1.38
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.12
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-cyclopentyl-1-methyl-1H-pyrazole-5-carboxamide
CID 903308
4-bromo-1,5-dimethyl-1H-pyrazole-3-carboxamide
CID 843437
WO2021250648, Example 72
CID 162396437
4-Bromo-1,3-dimethyl-N~5~-(1-methyl-2-morpholinoethyl)-1H-pyrazole-5-carboxamide
CID 4770997
4-Bromo-1-methyl-3-propyl-1H-pyrazole-5-carboxamide
CID 11601224
4-bromo-1,5-dimethyl-N,N-di(propan-2-yl)-1H-pyrazole-3-carboxamide
CID 4768378
4-bromo-N-tert-butyl-1,3-dimethylpyrazole-5-carboxamide
CID 15766811
4-bromo-1,3-dimethyl-N-[3-(morpholin-4-yl)propyl]-1H-pyrazole-5-carboxamide
CID 19575485
4-bromo-1,5-dimethyl-N-(propan-2-yl)-1H-pyrazole-3-carboxamide
CID 19578021
4-bromo-N-(cyclopropylmethyl)-N,5-dimethyl-1H-pyrazole-3-carboxamide
CID 47374540
2,5-dimethyl-N-[3-(methylamino)butyl]pyrazole-3-carboxamide
CID 86813851
4-bromo-1,5-dimethyl-N-[(3R)-oxan-3-yl]pyrazole-3-carboxamide
CID 136589319

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-cyclopropyl-1,3-dimethylpyrazole-5-carboxamide?
The IUPAC name of 4-bromo-N-cyclopropyl-1,3-dimethylpyrazole-5-carboxamide (CID 19577803) is 4-bromo-N-cyclopropyl-1,3-dimethylpyrazole-5-carboxamide.
What is the SMILES notation for 4-bromo-N-cyclopropyl-1,3-dimethylpyrazole-5-carboxamide?
The canonical SMILES for 4-bromo-N-cyclopropyl-1,3-dimethylpyrazole-5-carboxamide is Cc1nn(C)c(C(=O)NC2CC2)c1Br.
What is the InChIKey of 4-bromo-N-cyclopropyl-1,3-dimethylpyrazole-5-carboxamide?
The InChIKey is VRYAWOTWXMVBDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN3O/c1-5-7(10)8(13(2)12-5)9(14)11-6-3-4-6/h6H,3-4H2,1-2H3,(H,11,14).
What are the key properties of 4-bromo-N-cyclopropyl-1,3-dimethylpyrazole-5-carboxamide?
4-bromo-N-cyclopropyl-1,3-dimethylpyrazole-5-carboxamide has a molecular weight of 258.12 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-cyclopropyl-1,3-dimethylpyrazole-5-carboxamide is sourced from PubChem (CID 19577803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).