1-(3-chlorophenyl)-N-[2-(methylcarbamoyl)cyclopentyl]pyrazole-4-carboxamide

C17H19ClN4O2 — CID 146124166

IUPAC1-(3-chlorophenyl)-N-[2-(methylcarbamoyl)cyclopentyl]pyrazole-4-carboxamide
SMILESCNC(=O)C1CCCC1NC(=O)c1cnn(-c2cccc(Cl)c2)c1
InChIInChI=1S/C17H19ClN4O2/c1-19-17(24)14-6-3-7-15(14)21-16(23)11-9-20-22(10-11)13-5-2-4-12(18)8-13/h2,4-5,8-10,14-15H,3,6-7H2,1H3,(H,19,24)(H,21,23)
InChIKeyRZISVHXYCPNLQX-UHFFFAOYSA-N
MW346.82 g/mol
LogP2.17
Rot. Bonds4

About 1-(3-chlorophenyl)-N-[2-(methylcarbamoyl)cyclopentyl]pyrazole-4-carboxamide

1-(3-chlorophenyl)-N-[2-(methylcarbamoyl)cyclopentyl]pyrazole-4-carboxamide (PubChem CID 146124166) has the molecular formula C17H19ClN4O2 and a molecular weight of 346.82 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-[2-(methylcarbamoyl)cyclopentyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-[2-(methylcarbamoyl)cyclopentyl]pyrazole-4-carboxamide
PubChem CID146124166
Molecular FormulaC17H19ClN4O2
Molecular Weight346.82 g/mol
Exact Mass346.12
IUPAC Name1-(3-chlorophenyl)-N-[2-(methylcarbamoyl)cyclopentyl]pyrazole-4-carboxamide
SMILESCNC(=O)C1CCCC1NC(=O)c1cnn(-c2cccc(Cl)c2)c1
InChIInChI=1S/C17H19ClN4O2/c1-19-17(24)14-6-3-7-15(14)21-16(23)11-9-20-22(10-11)13-5-2-4-12(18)8-13/h2,4-5,8-10,14-15H,3,6-7H2,1H3,(H,19,24)(H,21,23)
InChIKeyRZISVHXYCPNLQX-UHFFFAOYSA-N
XLogP2.17
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.82
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-[2-(methylcarbamoyl)cyclopentyl]pyrazole-4-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-N-[2-(methylcarbamoyl)cyclopentyl]pyrazole-4-carboxamide (CID 146124166) is 1-(3-chlorophenyl)-N-[2-(methylcarbamoyl)cyclopentyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-[2-(methylcarbamoyl)cyclopentyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-[2-(methylcarbamoyl)cyclopentyl]pyrazole-4-carboxamide is CNC(=O)C1CCCC1NC(=O)c1cnn(-c2cccc(Cl)c2)c1.
What is the InChIKey of 1-(3-chlorophenyl)-N-[2-(methylcarbamoyl)cyclopentyl]pyrazole-4-carboxamide?
The InChIKey is RZISVHXYCPNLQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O2/c1-19-17(24)14-6-3-7-15(14)21-16(23)11-9-20-22(10-11)13-5-2-4-12(18)8-13/h2,4-5,8-10,14-15H,3,6-7H2,1H3,(H,19,24)(H,21,23).
What are the key properties of 1-(3-chlorophenyl)-N-[2-(methylcarbamoyl)cyclopentyl]pyrazole-4-carboxamide?
1-(3-chlorophenyl)-N-[2-(methylcarbamoyl)cyclopentyl]pyrazole-4-carboxamide has a molecular weight of 346.82 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-[2-(methylcarbamoyl)cyclopentyl]pyrazole-4-carboxamide is sourced from PubChem (CID 146124166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).