5-[(2-chlorobenzoyl)amino]-1-phenylpyrazole-3-carboxylic acid

C17H12ClN3O3 — CID 23630922

IUPAC5-[(2-chlorobenzoyl)amino]-1-phenylpyrazole-3-carboxylic acid
SMILESO=C(O)c1cc(NC(=O)c2ccccc2Cl)n(-c2ccccc2)n1
InChIInChI=1S/C17H12ClN3O3/c18-13-9-5-4-8-12(13)16(22)19-15-10-14(17(23)24)20-21(15)11-6-2-1-3-7-11/h1-10H,(H,19,22)(H,23,24)
InChIKeyPGJKDDHHXZBENT-UHFFFAOYSA-N
MW341.75 g/mol
LogP3.48
Rot. Bonds4

About 5-[(2-chlorobenzoyl)amino]-1-phenylpyrazole-3-carboxylic acid

5-[(2-chlorobenzoyl)amino]-1-phenylpyrazole-3-carboxylic acid (PubChem CID 23630922) has the molecular formula C17H12ClN3O3 and a molecular weight of 341.75 g/mol. Its IUPAC name is 5-[(2-chlorobenzoyl)amino]-1-phenylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[(2-chlorobenzoyl)amino]-1-phenylpyrazole-3-carboxylic acid
PubChem CID23630922
Molecular FormulaC17H12ClN3O3
Molecular Weight341.75 g/mol
Exact Mass341.06
IUPAC Name5-[(2-chlorobenzoyl)amino]-1-phenylpyrazole-3-carboxylic acid
SMILESO=C(O)c1cc(NC(=O)c2ccccc2Cl)n(-c2ccccc2)n1
InChIInChI=1S/C17H12ClN3O3/c18-13-9-5-4-8-12(13)16(22)19-15-10-14(17(23)24)20-21(15)11-6-2-1-3-7-11/h1-10H,(H,19,22)(H,23,24)
InChIKeyPGJKDDHHXZBENT-UHFFFAOYSA-N
XLogP3.48
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.75
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[2-chloro-4-(trifluoromethyl)benzoyl]amino]-1-phenylpyrazole-3-carboxylic acid
CID 118392848
5-[(2-chlorobenzoyl)amino]-1-methylpyrazole-3-carboxylic acid
CID 68759354
ethyl 5-[(2-chlorobenzoyl)amino]-1-phenylpyrazole-3-carboxylate
CID 23630616
2-chloro-3-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
CID 138993742
2-chloro-4-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
CID 139009806
N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2,3-dichlorobenzamide
CID 46088066
1-[3-[(2-chlorobenzoyl)amino]phenyl]pyrazole-3-carboxylic acid
CID 75417973
5-[[2-chloro-5-[6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]benzoyl]amino]-1-phenylpyrazole-3-carboxylic acid
CID 118456261
2-chloro-4,5-dimethoxy-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
CID 138993021
5-[[5-(6-amino-2-pyridinyl)-2-chlorobenzoyl]amino]-1-phenylpyrazole-3-carboxamide
CID 118456253
[6-[3-[(3-carbamoyl-1-phenylpyrazol-5-yl)carbamoyl]-4-chlorophenyl]-3-chloro-2-pyridinyl]carbamic acid
CID 118456364
5-[[5-(6-amino-3-fluoro-2-pyridinyl)-2-chlorobenzoyl]amino]-1-phenylpyrazole-3-carboxamide
CID 118456284

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chlorobenzoyl)amino]-1-phenylpyrazole-3-carboxylic acid?
The IUPAC name of 5-[(2-chlorobenzoyl)amino]-1-phenylpyrazole-3-carboxylic acid (CID 23630922) is 5-[(2-chlorobenzoyl)amino]-1-phenylpyrazole-3-carboxylic acid.
What is the SMILES notation for 5-[(2-chlorobenzoyl)amino]-1-phenylpyrazole-3-carboxylic acid?
The canonical SMILES for 5-[(2-chlorobenzoyl)amino]-1-phenylpyrazole-3-carboxylic acid is O=C(O)c1cc(NC(=O)c2ccccc2Cl)n(-c2ccccc2)n1.
What is the InChIKey of 5-[(2-chlorobenzoyl)amino]-1-phenylpyrazole-3-carboxylic acid?
The InChIKey is PGJKDDHHXZBENT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN3O3/c18-13-9-5-4-8-12(13)16(22)19-15-10-14(17(23)24)20-21(15)11-6-2-1-3-7-11/h1-10H,(H,19,22)(H,23,24).
What are the key properties of 5-[(2-chlorobenzoyl)amino]-1-phenylpyrazole-3-carboxylic acid?
5-[(2-chlorobenzoyl)amino]-1-phenylpyrazole-3-carboxylic acid has a molecular weight of 341.75 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chlorobenzoyl)amino]-1-phenylpyrazole-3-carboxylic acid is sourced from PubChem (CID 23630922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).