5-[(3-chlorobenzoyl)amino]-1H-pyrazole-4-carboxamide

C11H9ClN4O2 — CID 4150651

IUPAC5-[(3-chlorobenzoyl)amino]-1H-pyrazole-4-carboxamide
SMILESNC(=O)c1cn[nH]c1NC(=O)c1cccc(Cl)c1
InChIInChI=1S/C11H9ClN4O2/c12-7-3-1-2-6(4-7)11(18)15-10-8(9(13)17)5-14-16-10/h1-5H,(H2,13,17)(H2,14,15,16,18)
InChIKeyCCUIDYUZPIXPEA-UHFFFAOYSA-N
MW264.67 g/mol
LogP1.41
Rot. Bonds3

About 5-[(3-chlorobenzoyl)amino]-1H-pyrazole-4-carboxamide

5-[(3-chlorobenzoyl)amino]-1H-pyrazole-4-carboxamide (PubChem CID 4150651) has the molecular formula C11H9ClN4O2 and a molecular weight of 264.67 g/mol. Its IUPAC name is 5-[(3-chlorobenzoyl)amino]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-[(3-chlorobenzoyl)amino]-1H-pyrazole-4-carboxamide
PubChem CID4150651
Molecular FormulaC11H9ClN4O2
Molecular Weight264.67 g/mol
Exact Mass264.04
IUPAC Name5-[(3-chlorobenzoyl)amino]-1H-pyrazole-4-carboxamide
SMILESNC(=O)c1cn[nH]c1NC(=O)c1cccc(Cl)c1
InChIInChI=1S/C11H9ClN4O2/c12-7-3-1-2-6(4-7)11(18)15-10-8(9(13)17)5-14-16-10/h1-5H,(H2,13,17)(H2,14,15,16,18)
InChIKeyCCUIDYUZPIXPEA-UHFFFAOYSA-N
XLogP1.41
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.67
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-chlorobenzoyl)amino]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-[(3-chlorobenzoyl)amino]-1H-pyrazole-4-carboxamide (CID 4150651) is 5-[(3-chlorobenzoyl)amino]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-[(3-chlorobenzoyl)amino]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-[(3-chlorobenzoyl)amino]-1H-pyrazole-4-carboxamide is NC(=O)c1cn[nH]c1NC(=O)c1cccc(Cl)c1.
What is the InChIKey of 5-[(3-chlorobenzoyl)amino]-1H-pyrazole-4-carboxamide?
The InChIKey is CCUIDYUZPIXPEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN4O2/c12-7-3-1-2-6(4-7)11(18)15-10-8(9(13)17)5-14-16-10/h1-5H,(H2,13,17)(H2,14,15,16,18).
What are the key properties of 5-[(3-chlorobenzoyl)amino]-1H-pyrazole-4-carboxamide?
5-[(3-chlorobenzoyl)amino]-1H-pyrazole-4-carboxamide has a molecular weight of 264.67 g/mol, XLogP of 1.41, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-chlorobenzoyl)amino]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 4150651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).