4-bromo-5-[(2-chlorobenzoyl)amino]-1-pyridin-2-ylpyrazole-3-carboxylic acid

C16H10BrClN4O3 — CID 69153621

IUPAC4-bromo-5-[(2-chlorobenzoyl)amino]-1-pyridin-2-ylpyrazole-3-carboxylic acid
SMILESO=C(Nc1c(Br)c(C(=O)O)nn1-c1ccccn1)c1ccccc1Cl
InChIInChI=1S/C16H10BrClN4O3/c17-12-13(16(24)25)21-22(11-7-3-4-8-19-11)14(12)20-15(23)9-5-1-2-6-10(9)18/h1-8H,(H,20,23)(H,24,25)
InChIKeyXGFYXEZNIJVWAZ-UHFFFAOYSA-N
MW421.64 g/mol
LogP3.63
Rot. Bonds4

About 4-bromo-5-[(2-chlorobenzoyl)amino]-1-pyridin-2-ylpyrazole-3-carboxylic acid

4-bromo-5-[(2-chlorobenzoyl)amino]-1-pyridin-2-ylpyrazole-3-carboxylic acid (PubChem CID 69153621) has the molecular formula C16H10BrClN4O3 and a molecular weight of 421.64 g/mol. Its IUPAC name is 4-bromo-5-[(2-chlorobenzoyl)amino]-1-pyridin-2-ylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name4-bromo-5-[(2-chlorobenzoyl)amino]-1-pyridin-2-ylpyrazole-3-carboxylic acid
PubChem CID69153621
Molecular FormulaC16H10BrClN4O3
Molecular Weight421.64 g/mol
Exact Mass419.96
IUPAC Name4-bromo-5-[(2-chlorobenzoyl)amino]-1-pyridin-2-ylpyrazole-3-carboxylic acid
SMILESO=C(Nc1c(Br)c(C(=O)O)nn1-c1ccccn1)c1ccccc1Cl
InChIInChI=1S/C16H10BrClN4O3/c17-12-13(16(24)25)21-22(11-7-3-4-8-19-11)14(12)20-15(23)9-5-1-2-6-10(9)18/h1-8H,(H,20,23)(H,24,25)
InChIKeyXGFYXEZNIJVWAZ-UHFFFAOYSA-N
XLogP3.63
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.64
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-1-carbamoyl-5-[(2-chlorobenzoyl)amino]pyrazole-3-carboxylic acid
CID 68886230
4-bromo-5-[(2-chlorobenzoyl)amino]-N-(2-oxoazepan-3-yl)-1-phenylpyrazole-3-carboxamide
CID 11432555
1-tert-butyl-5-[(2-chlorobenzoyl)amino]-4-methylpyrazole-3-carboxylic acid
CID 59773332
[5-[(2-chlorobenzoyl)amino]-4-methyl-1-pyridin-2-ylpyrazol-3-yl] N-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]carbamate
CID 69154024
N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2,4-dichlorobenzamide
CID 56531728
2-chloro-N-(2-chloro-3-pyridinyl)benzamide
CID 4245221
2-chloro-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzamide
CID 7974806
N-[(3R)-azepan-3-yl]-4-bromo-5-[(2-chlorobenzoyl)amino]-1-methylpyrazole-3-carboxamide
CID 59773409
5-[(2-chlorobenzoyl)amino]-1-phenylpyrazole-3-carboxylic acid
CID 23630922
4-bromo-5-[(2-chlorobenzoyl)amino]-1-methyl-N-[(3R)-2-oxoazepan-3-yl]pyrazole-3-carboxamide
CID 58770197
1-pyridin-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 82587168
5-[(2-chlorobenzoyl)amino]-1-methylpyrazole-3-carboxylic acid
CID 68759354

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-[(2-chlorobenzoyl)amino]-1-pyridin-2-ylpyrazole-3-carboxylic acid?
The IUPAC name of 4-bromo-5-[(2-chlorobenzoyl)amino]-1-pyridin-2-ylpyrazole-3-carboxylic acid (CID 69153621) is 4-bromo-5-[(2-chlorobenzoyl)amino]-1-pyridin-2-ylpyrazole-3-carboxylic acid.
What is the SMILES notation for 4-bromo-5-[(2-chlorobenzoyl)amino]-1-pyridin-2-ylpyrazole-3-carboxylic acid?
The canonical SMILES for 4-bromo-5-[(2-chlorobenzoyl)amino]-1-pyridin-2-ylpyrazole-3-carboxylic acid is O=C(Nc1c(Br)c(C(=O)O)nn1-c1ccccn1)c1ccccc1Cl.
What is the InChIKey of 4-bromo-5-[(2-chlorobenzoyl)amino]-1-pyridin-2-ylpyrazole-3-carboxylic acid?
The InChIKey is XGFYXEZNIJVWAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrClN4O3/c17-12-13(16(24)25)21-22(11-7-3-4-8-19-11)14(12)20-15(23)9-5-1-2-6-10(9)18/h1-8H,(H,20,23)(H,24,25).
What are the key properties of 4-bromo-5-[(2-chlorobenzoyl)amino]-1-pyridin-2-ylpyrazole-3-carboxylic acid?
4-bromo-5-[(2-chlorobenzoyl)amino]-1-pyridin-2-ylpyrazole-3-carboxylic acid has a molecular weight of 421.64 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-[(2-chlorobenzoyl)amino]-1-pyridin-2-ylpyrazole-3-carboxylic acid is sourced from PubChem (CID 69153621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).