2-(3-amino-4-chloropyrazol-1-yl)-5-bromobenzamide

C10H8BrClN4O — CID 114895171

IUPAC2-(3-amino-4-chloropyrazol-1-yl)-5-bromobenzamide
SMILESNC(=O)c1cc(Br)ccc1-n1cc(Cl)c(N)n1
InChIInChI=1S/C10H8BrClN4O/c11-5-1-2-8(6(3-5)10(14)17)16-4-7(12)9(13)15-16/h1-4H,(H2,13,15)(H2,14,17)
InChIKeyZWEMJRURPKZJNH-UHFFFAOYSA-N
MW315.56 g/mol
LogP1.97
Rot. Bonds2

About 2-(3-amino-4-chloropyrazol-1-yl)-5-bromobenzamide

2-(3-amino-4-chloropyrazol-1-yl)-5-bromobenzamide (PubChem CID 114895171) has the molecular formula C10H8BrClN4O and a molecular weight of 315.56 g/mol. Its IUPAC name is 2-(3-amino-4-chloropyrazol-1-yl)-5-bromobenzamide.

Molecular Properties

Compound Name2-(3-amino-4-chloropyrazol-1-yl)-5-bromobenzamide
PubChem CID114895171
Molecular FormulaC10H8BrClN4O
Molecular Weight315.56 g/mol
Exact Mass313.96
IUPAC Name2-(3-amino-4-chloropyrazol-1-yl)-5-bromobenzamide
SMILESNC(=O)c1cc(Br)ccc1-n1cc(Cl)c(N)n1
InChIInChI=1S/C10H8BrClN4O/c11-5-1-2-8(6(3-5)10(14)17)16-4-7(12)9(13)15-16/h1-4H,(H2,13,15)(H2,14,17)
InChIKeyZWEMJRURPKZJNH-UHFFFAOYSA-N
XLogP1.97
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.56
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-aminopyrazol-1-yl)-5-bromobenzamide
CID 114895160
5-bromo-2-(4-bromo-3,5-dimethylpyrazol-1-yl)benzamide
CID 114895144
2-(3-amino-4-chloropyrazol-1-yl)phenol
CID 112711611
2-(benzimidazol-1-yl)-5-bromobenzamide
CID 114896304
5-amino-2-(4-chloropyrazol-1-yl)benzamide
CID 61311509
4-bromo-2-(1,2,4-triazol-1-yl)benzamide
CID 115773784
dimethyl 1-(4-bromo-2-chlorophenyl)pyrazole-3,4-dicarboxylate
CID 3589679
4-(3-amino-4-methylpyrazol-1-yl)-3-bromobenzamide
CID 82801569
1-(4-bromo-2-chlorophenyl)triazole-4-carboxylic acid
CID 43347403
2-(3-amino-1,2,4-triazol-1-yl)-5-fluorobenzamide
CID 63673140
4-(4-bromo-2-carbamoylphenyl)morpholine-2-carboxylic acid
CID 114890055
1-(4-bromo-2-chlorophenyl)-5-methyl-4-oxopyridazine-3-carboxylic acid
CID 63953833

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-4-chloropyrazol-1-yl)-5-bromobenzamide?
The IUPAC name of 2-(3-amino-4-chloropyrazol-1-yl)-5-bromobenzamide (CID 114895171) is 2-(3-amino-4-chloropyrazol-1-yl)-5-bromobenzamide.
What is the SMILES notation for 2-(3-amino-4-chloropyrazol-1-yl)-5-bromobenzamide?
The canonical SMILES for 2-(3-amino-4-chloropyrazol-1-yl)-5-bromobenzamide is NC(=O)c1cc(Br)ccc1-n1cc(Cl)c(N)n1.
What is the InChIKey of 2-(3-amino-4-chloropyrazol-1-yl)-5-bromobenzamide?
The InChIKey is ZWEMJRURPKZJNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrClN4O/c11-5-1-2-8(6(3-5)10(14)17)16-4-7(12)9(13)15-16/h1-4H,(H2,13,15)(H2,14,17).
What are the key properties of 2-(3-amino-4-chloropyrazol-1-yl)-5-bromobenzamide?
2-(3-amino-4-chloropyrazol-1-yl)-5-bromobenzamide has a molecular weight of 315.56 g/mol, XLogP of 1.97, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-4-chloropyrazol-1-yl)-5-bromobenzamide is sourced from PubChem (CID 114895171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).