3-[(2-chlorobenzoyl)amino]-N-phenyl-1H-pyrazole-5-carboxamide

C17H13ClN4O2 — CID 23630812

IUPAC3-[(2-chlorobenzoyl)amino]-N-phenyl-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1ccccc1)c1cc(NC(=O)c2ccccc2Cl)n[nH]1
InChIInChI=1S/C17H13ClN4O2/c18-13-9-5-4-8-12(13)16(23)20-15-10-14(21-22-15)17(24)19-11-6-2-1-3-7-11/h1-10H,(H,19,24)(H2,20,21,22,23)
InChIKeyFBEAYUNZQMNZEN-UHFFFAOYSA-N
MW340.77 g/mol
LogP3.57
Rot. Bonds4

About 3-[(2-chlorobenzoyl)amino]-N-phenyl-1H-pyrazole-5-carboxamide

3-[(2-chlorobenzoyl)amino]-N-phenyl-1H-pyrazole-5-carboxamide (PubChem CID 23630812) has the molecular formula C17H13ClN4O2 and a molecular weight of 340.77 g/mol. Its IUPAC name is 3-[(2-chlorobenzoyl)amino]-N-phenyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-[(2-chlorobenzoyl)amino]-N-phenyl-1H-pyrazole-5-carboxamide
PubChem CID23630812
Molecular FormulaC17H13ClN4O2
Molecular Weight340.77 g/mol
Exact Mass340.07
IUPAC Name3-[(2-chlorobenzoyl)amino]-N-phenyl-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1ccccc1)c1cc(NC(=O)c2ccccc2Cl)n[nH]1
InChIInChI=1S/C17H13ClN4O2/c18-13-9-5-4-8-12(13)16(23)20-15-10-14(21-22-15)17(24)19-11-6-2-1-3-7-11/h1-10H,(H,19,24)(H2,20,21,22,23)
InChIKeyFBEAYUNZQMNZEN-UHFFFAOYSA-N
XLogP3.57
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.77
LogP ≤ 53.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorobenzoyl)amino]-N-phenyl-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-[(2-chlorobenzoyl)amino]-N-phenyl-1H-pyrazole-5-carboxamide (CID 23630812) is 3-[(2-chlorobenzoyl)amino]-N-phenyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-[(2-chlorobenzoyl)amino]-N-phenyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-[(2-chlorobenzoyl)amino]-N-phenyl-1H-pyrazole-5-carboxamide is O=C(Nc1ccccc1)c1cc(NC(=O)c2ccccc2Cl)n[nH]1.
What is the InChIKey of 3-[(2-chlorobenzoyl)amino]-N-phenyl-1H-pyrazole-5-carboxamide?
The InChIKey is FBEAYUNZQMNZEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN4O2/c18-13-9-5-4-8-12(13)16(23)20-15-10-14(21-22-15)17(24)19-11-6-2-1-3-7-11/h1-10H,(H,19,24)(H2,20,21,22,23).
What are the key properties of 3-[(2-chlorobenzoyl)amino]-N-phenyl-1H-pyrazole-5-carboxamide?
3-[(2-chlorobenzoyl)amino]-N-phenyl-1H-pyrazole-5-carboxamide has a molecular weight of 340.77 g/mol, XLogP of 3.57, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorobenzoyl)amino]-N-phenyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 23630812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).