N-(2-bromo-4-cyanophenyl)-1H-pyrazole-4-carboxamide

C11H7BrN4O — CID 61259361

IUPACN-(2-bromo-4-cyanophenyl)-1H-pyrazole-4-carboxamide
SMILESN#Cc1ccc(NC(=O)c2cn[nH]c2)c(Br)c1
InChIInChI=1S/C11H7BrN4O/c12-9-3-7(4-13)1-2-10(9)16-11(17)8-5-14-15-6-8/h1-3,5-6H,(H,14,15)(H,16,17)
InChIKeyAPYDWSVMKRMVIK-UHFFFAOYSA-N
MW291.11 g/mol
LogP2.30
Rot. Bonds2

About N-(2-bromo-4-cyanophenyl)-1H-pyrazole-4-carboxamide

N-(2-bromo-4-cyanophenyl)-1H-pyrazole-4-carboxamide (PubChem CID 61259361) has the molecular formula C11H7BrN4O and a molecular weight of 291.11 g/mol. Its IUPAC name is N-(2-bromo-4-cyanophenyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-4-cyanophenyl)-1H-pyrazole-4-carboxamide
PubChem CID61259361
Molecular FormulaC11H7BrN4O
Molecular Weight291.11 g/mol
Exact Mass289.98
IUPAC NameN-(2-bromo-4-cyanophenyl)-1H-pyrazole-4-carboxamide
SMILESN#Cc1ccc(NC(=O)c2cn[nH]c2)c(Br)c1
InChIInChI=1S/C11H7BrN4O/c12-9-3-7(4-13)1-2-10(9)16-11(17)8-5-14-15-6-8/h1-3,5-6H,(H,14,15)(H,16,17)
InChIKeyAPYDWSVMKRMVIK-UHFFFAOYSA-N
XLogP2.30
TPSA81.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.11
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromo-4-cyanophenyl)-6-hydrazinylpyridine-3-carboxamide
CID 107793977
N-(2-bromophenyl)-1H-pyrazole-4-carboxamide
CID 43532862
N-(2-bromo-4-cyanophenyl)-2-hydrazinyl-6-methylpyridine-4-carboxamide
CID 107793985
3-bromo-N-(2-bromo-4-cyanophenyl)-4-chlorobenzamide
CID 103841848
N-(2-bromo-4-cyanophenyl)-2-methyl-6-(methylamino)pyridine-4-carboxamide
CID 107793713
N-(4-amino-2-bromophenyl)-4-cyanobenzamide
CID 43549549
3-bromo-N-(2-bromo-4-cyanophenyl)-5-methylbenzamide
CID 104852225
N-(2-bromo-4-cyanophenyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998397
6-[(2-bromo-4-cyanophenyl)carbamoyl]pyridine-2-carboxylic acid
CID 107792674
N-(2-bromo-4-cyanophenyl)-3-chloro-4-hydroxybenzamide
CID 107791108
3-amino-N-(2-bromo-4-cyanophenyl)-1H-pyrazole-5-carboxamide
CID 107796825
2-amino-N-(2-bromo-4-cyanophenyl)-6-ethylpyridine-4-carboxamide
CID 107793724

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-cyanophenyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(2-bromo-4-cyanophenyl)-1H-pyrazole-4-carboxamide (CID 61259361) is N-(2-bromo-4-cyanophenyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(2-bromo-4-cyanophenyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(2-bromo-4-cyanophenyl)-1H-pyrazole-4-carboxamide is N#Cc1ccc(NC(=O)c2cn[nH]c2)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-cyanophenyl)-1H-pyrazole-4-carboxamide?
The InChIKey is APYDWSVMKRMVIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrN4O/c12-9-3-7(4-13)1-2-10(9)16-11(17)8-5-14-15-6-8/h1-3,5-6H,(H,14,15)(H,16,17).
What are the key properties of N-(2-bromo-4-cyanophenyl)-1H-pyrazole-4-carboxamide?
N-(2-bromo-4-cyanophenyl)-1H-pyrazole-4-carboxamide has a molecular weight of 291.11 g/mol, XLogP of 2.30, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-cyanophenyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 61259361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).