4-bromo-N-(4-pyrazol-1-ylphenyl)-1H-pyrazole-5-carboxamide

C13H10BrN5O — CID 35535373

IUPAC4-bromo-N-(4-pyrazol-1-ylphenyl)-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1ccc(-n2cccn2)cc1)c1[nH]ncc1Br
InChIInChI=1S/C13H10BrN5O/c14-11-8-15-18-12(11)13(20)17-9-2-4-10(5-3-9)19-7-1-6-16-19/h1-8H,(H,15,18)(H,17,20)
InChIKeyGDMKSBYATRHPQX-UHFFFAOYSA-N
MW332.16 g/mol
LogP2.61
Rot. Bonds3

About 4-bromo-N-(4-pyrazol-1-ylphenyl)-1H-pyrazole-5-carboxamide

4-bromo-N-(4-pyrazol-1-ylphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 35535373) has the molecular formula C13H10BrN5O and a molecular weight of 332.16 g/mol. Its IUPAC name is 4-bromo-N-(4-pyrazol-1-ylphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(4-pyrazol-1-ylphenyl)-1H-pyrazole-5-carboxamide
PubChem CID35535373
Molecular FormulaC13H10BrN5O
Molecular Weight332.16 g/mol
Exact Mass331.01
IUPAC Name4-bromo-N-(4-pyrazol-1-ylphenyl)-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1ccc(-n2cccn2)cc1)c1[nH]ncc1Br
InChIInChI=1S/C13H10BrN5O/c14-11-8-15-18-12(11)13(20)17-9-2-4-10(5-3-9)19-7-1-6-16-19/h1-8H,(H,15,18)(H,17,20)
InChIKeyGDMKSBYATRHPQX-UHFFFAOYSA-N
XLogP2.61
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.16
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-(4-pyrazol-1-ylphenyl)pyridine-2-carboxamide
CID 62955085
4-bromo-N-(4-phenylphenyl)-1H-pyrazole-5-carboxamide
CID 19511285
N-(4-pyrazol-1-ylphenyl)pyridine-2-carboxamide
CID 35275358
5-chloro-N-(4-pyrazol-1-ylphenyl)pyrazine-2-carboxamide
CID 107247017
3-bromo-N-(4-pyrazol-1-ylphenyl)benzamide
CID 35761421
4-bromo-N-(4-nitrophenyl)-1H-pyrazole-5-carboxamide
CID 19511190
N-(1H-indazol-6-yl)-4-pyrazol-1-ylbenzamide
CID 36561549
4-bromo-2,5-dimethyl-N-(4-pyrazol-1-ylphenyl)furan-3-carboxamide
CID 78866497
4-bromo-1-ethyl-N-(4-pyrazol-1-ylphenyl)pyrazole-3-carboxamide
CID 35534221
4-pyrazol-1-yl-N-pyridin-4-ylbenzamide
CID 27700232
3-chloro-N-(4-pyrazol-1-ylphenyl)pyridine-4-carboxamide
CID 66483325
N-[3-[(4-bromo-1H-pyrazole-5-carbonyl)amino]phenyl]-1-methylpyrazole-3-carboxamide
CID 19511434

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(4-pyrazol-1-ylphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-bromo-N-(4-pyrazol-1-ylphenyl)-1H-pyrazole-5-carboxamide (CID 35535373) is 4-bromo-N-(4-pyrazol-1-ylphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-bromo-N-(4-pyrazol-1-ylphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-bromo-N-(4-pyrazol-1-ylphenyl)-1H-pyrazole-5-carboxamide is O=C(Nc1ccc(-n2cccn2)cc1)c1[nH]ncc1Br.
What is the InChIKey of 4-bromo-N-(4-pyrazol-1-ylphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is GDMKSBYATRHPQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrN5O/c14-11-8-15-18-12(11)13(20)17-9-2-4-10(5-3-9)19-7-1-6-16-19/h1-8H,(H,15,18)(H,17,20).
What are the key properties of 4-bromo-N-(4-pyrazol-1-ylphenyl)-1H-pyrazole-5-carboxamide?
4-bromo-N-(4-pyrazol-1-ylphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 332.16 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(4-pyrazol-1-ylphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 35535373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).