3-amino-N-(2-bromo-4-cyanophenyl)-1H-pyrazole-5-carboxamide

C11H8BrN5O — CID 107796825

IUPAC3-amino-N-(2-bromo-4-cyanophenyl)-1H-pyrazole-5-carboxamide
SMILESN#Cc1ccc(NC(=O)c2cc(N)n[nH]2)c(Br)c1
InChIInChI=1S/C11H8BrN5O/c12-7-3-6(5-13)1-2-8(7)15-11(18)9-4-10(14)17-16-9/h1-4H,(H,15,18)(H3,14,16,17)
InChIKeyKVZGNKHSTCZTIW-UHFFFAOYSA-N
MW306.12 g/mol
LogP1.88
Rot. Bonds2

About 3-amino-N-(2-bromo-4-cyanophenyl)-1H-pyrazole-5-carboxamide

3-amino-N-(2-bromo-4-cyanophenyl)-1H-pyrazole-5-carboxamide (PubChem CID 107796825) has the molecular formula C11H8BrN5O and a molecular weight of 306.12 g/mol. Its IUPAC name is 3-amino-N-(2-bromo-4-cyanophenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2-bromo-4-cyanophenyl)-1H-pyrazole-5-carboxamide
PubChem CID107796825
Molecular FormulaC11H8BrN5O
Molecular Weight306.12 g/mol
Exact Mass304.99
IUPAC Name3-amino-N-(2-bromo-4-cyanophenyl)-1H-pyrazole-5-carboxamide
SMILESN#Cc1ccc(NC(=O)c2cc(N)n[nH]2)c(Br)c1
InChIInChI=1S/C11H8BrN5O/c12-7-3-6(5-13)1-2-8(7)15-11(18)9-4-10(14)17-16-9/h1-4H,(H,15,18)(H3,14,16,17)
InChIKeyKVZGNKHSTCZTIW-UHFFFAOYSA-N
XLogP1.88
TPSA107.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.12
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(5-cyano-2-methylphenyl)-1H-pyrazole-5-carboxamide
CID 64525453
5-amino-2-bromo-N-(2-bromo-4-cyanophenyl)benzamide
CID 115297136
N-(4-amino-2-bromophenyl)-4-cyanobenzamide
CID 43549549
N-(2-bromo-4-cyanophenyl)-1H-pyrazole-4-carboxamide
CID 61259361
3-amino-N-(2-bromo-4-cyanophenyl)thiophene-2-carboxamide
CID 114002425
2-amino-N-(2-bromo-4-cyanophenyl)pyridine-3-carboxamide
CID 107793711
3-amino-N-(4-bromo-2-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 64525794
2-amino-N-(2-bromo-4-cyanophenyl)-6-ethylpyridine-4-carboxamide
CID 107793724
2,5-dibromo-N-(2-bromo-4-cyanophenyl)benzamide
CID 114371240
5-amino-N-(2-bromo-4-cyanophenyl)-2,3-dichlorobenzamide
CID 107796812
2-[2-[(2-bromo-4-cyanophenyl)carbamoyl]pyrrol-1-yl]acetic acid
CID 107792698
N-(2-bromo-4-cyanophenyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998397

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-bromo-4-cyanophenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-amino-N-(2-bromo-4-cyanophenyl)-1H-pyrazole-5-carboxamide (CID 107796825) is 3-amino-N-(2-bromo-4-cyanophenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-(2-bromo-4-cyanophenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-amino-N-(2-bromo-4-cyanophenyl)-1H-pyrazole-5-carboxamide is N#Cc1ccc(NC(=O)c2cc(N)n[nH]2)c(Br)c1.
What is the InChIKey of 3-amino-N-(2-bromo-4-cyanophenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is KVZGNKHSTCZTIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrN5O/c12-7-3-6(5-13)1-2-8(7)15-11(18)9-4-10(14)17-16-9/h1-4H,(H,15,18)(H3,14,16,17).
What are the key properties of 3-amino-N-(2-bromo-4-cyanophenyl)-1H-pyrazole-5-carboxamide?
3-amino-N-(2-bromo-4-cyanophenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 306.12 g/mol, XLogP of 1.88, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-bromo-4-cyanophenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 107796825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).