3-[(4-chlorobenzoyl)amino]-1-cyclopentylpyrazole-4-carboxamide

C16H17ClN4O2 — CID 166434479

IUPAC3-[(4-chlorobenzoyl)amino]-1-cyclopentylpyrazole-4-carboxamide
SMILESNC(=O)c1cn(C2CCCC2)nc1NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H17ClN4O2/c17-11-7-5-10(6-8-11)16(23)19-15-13(14(18)22)9-21(20-15)12-3-1-2-4-12/h5-9,12H,1-4H2,(H2,18,22)(H,19,20,23)
InChIKeyCLJSZTSYWYRJAQ-UHFFFAOYSA-N
MW332.79 g/mol
LogP3.00
Rot. Bonds4

About 3-[(4-chlorobenzoyl)amino]-1-cyclopentylpyrazole-4-carboxamide

3-[(4-chlorobenzoyl)amino]-1-cyclopentylpyrazole-4-carboxamide (PubChem CID 166434479) has the molecular formula C16H17ClN4O2 and a molecular weight of 332.79 g/mol. Its IUPAC name is 3-[(4-chlorobenzoyl)amino]-1-cyclopentylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-[(4-chlorobenzoyl)amino]-1-cyclopentylpyrazole-4-carboxamide
PubChem CID166434479
Molecular FormulaC16H17ClN4O2
Molecular Weight332.79 g/mol
Exact Mass332.10
IUPAC Name3-[(4-chlorobenzoyl)amino]-1-cyclopentylpyrazole-4-carboxamide
SMILESNC(=O)c1cn(C2CCCC2)nc1NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H17ClN4O2/c17-11-7-5-10(6-8-11)16(23)19-15-13(14(18)22)9-21(20-15)12-3-1-2-4-12/h5-9,12H,1-4H2,(H2,18,22)(H,19,20,23)
InChIKeyCLJSZTSYWYRJAQ-UHFFFAOYSA-N
XLogP3.00
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(7-chloroquinolin-3-yl)amino]-1-cyclohexylpyrazole-4-carboxamide
CID 130284430
3-(4-chloroanilino)-1-[4-(methanesulfinamido)cyclohexyl]pyrazole-4-carboxamide
CID 130284890
1-cyclohexyl-3-[4-(4,4,4-trifluoro-3-hydroxy-2-methylbutan-2-yl)anilino]pyrazole-4-carboxamide
CID 130284606
ethane;formonitrile;methyl 2-bromo-4-[(4-carbamoyl-1-cyclohexylpyrazol-3-yl)amino]benzoate
CID 164542878
1-[(1S,2S,4R)-2-amino-4-(methanesulfonamido)cyclohexyl]-3-(4-chloroanilino)pyrazole-4-carboxamide
CID 163527762
N-(4-amino-1,2,5-oxadiazol-3-yl)-4-chlorobenzamide
CID 4916245
3-(4-chloro-3-fluoroanilino)-1-[(1S,2S)-2-methylcyclohexyl]pyrazole-4-carboxamide
CID 130284773
4-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
CID 40617766
4-chloro-N-[(1-cyclopentyltetrazol-5-yl)methyl]benzamide
CID 30295393
4-N-(4-chlorophenyl)-1-N-cyclopentylbenzene-1,4-dicarboxamide
CID 109044491
N-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-4-chlorobenzamide
CID 27904607
4-chloro-N-(2-cyclohexyl-1-oxo-3H-isoindol-5-yl)benzamide
CID 58707854

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorobenzoyl)amino]-1-cyclopentylpyrazole-4-carboxamide?
The IUPAC name of 3-[(4-chlorobenzoyl)amino]-1-cyclopentylpyrazole-4-carboxamide (CID 166434479) is 3-[(4-chlorobenzoyl)amino]-1-cyclopentylpyrazole-4-carboxamide.
What is the SMILES notation for 3-[(4-chlorobenzoyl)amino]-1-cyclopentylpyrazole-4-carboxamide?
The canonical SMILES for 3-[(4-chlorobenzoyl)amino]-1-cyclopentylpyrazole-4-carboxamide is NC(=O)c1cn(C2CCCC2)nc1NC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 3-[(4-chlorobenzoyl)amino]-1-cyclopentylpyrazole-4-carboxamide?
The InChIKey is CLJSZTSYWYRJAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O2/c17-11-7-5-10(6-8-11)16(23)19-15-13(14(18)22)9-21(20-15)12-3-1-2-4-12/h5-9,12H,1-4H2,(H2,18,22)(H,19,20,23).
What are the key properties of 3-[(4-chlorobenzoyl)amino]-1-cyclopentylpyrazole-4-carboxamide?
3-[(4-chlorobenzoyl)amino]-1-cyclopentylpyrazole-4-carboxamide has a molecular weight of 332.79 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorobenzoyl)amino]-1-cyclopentylpyrazole-4-carboxamide is sourced from PubChem (CID 166434479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).