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

C15H16ClN3O — CID 136515658

IUPACN-[1-(3-chlorophenyl)cyclopentyl]-1H-pyrazole-4-carboxamide
SMILESO=C(NC1(c2cccc(Cl)c2)CCCC1)c1cn[nH]c1
InChIInChI=1S/C15H16ClN3O/c16-13-5-3-4-12(8-13)15(6-1-2-7-15)19-14(20)11-9-17-18-10-11/h3-5,8-10H,1-2,6-7H2,(H,17,18)(H,19,20)
InChIKeyWBMASWPYUCXAOK-UHFFFAOYSA-N
MW289.77 g/mol
LogP3.26
Rot. Bonds3

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

N-[1-(3-chlorophenyl)cyclopentyl]-1H-pyrazole-4-carboxamide (PubChem CID 136515658) has the molecular formula C15H16ClN3O and a molecular weight of 289.77 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)cyclopentyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)cyclopentyl]-1H-pyrazole-4-carboxamide
PubChem CID136515658
Molecular FormulaC15H16ClN3O
Molecular Weight289.77 g/mol
Exact Mass289.10
IUPAC NameN-[1-(3-chlorophenyl)cyclopentyl]-1H-pyrazole-4-carboxamide
SMILESO=C(NC1(c2cccc(Cl)c2)CCCC1)c1cn[nH]c1
InChIInChI=1S/C15H16ClN3O/c16-13-5-3-4-12(8-13)15(6-1-2-7-15)19-14(20)11-9-17-18-10-11/h3-5,8-10H,1-2,6-7H2,(H,17,18)(H,19,20)
InChIKeyWBMASWPYUCXAOK-UHFFFAOYSA-N
XLogP3.26
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3-chlorophenyl)cyclopentyl]acetamide
CID 110441196
N-[1-(3-chlorophenyl)cyclopentyl]-4-(dimethylamino)benzamide
CID 110444472
N-[1-(3-chlorophenyl)cyclopropyl]-4-fluorobenzamide
CID 110441685
N-[1-(3-chlorophenyl)cyclopentyl]-2-cyclopropyl-6-oxo-1H-pyridine-4-carboxamide
CID 127904097
N-[1-(3-chlorophenyl)cyclopropyl]pyridine-2-carboxamide
CID 110444338
N-[1-(3-chlorophenyl)cyclopentyl]-5-phenyl-2H-triazole-4-carboxamide
CID 166245513
2-amino-N-[1-(3-chlorophenyl)cyclopentyl]acetamide
CID 110459406
N-[1-(3-chlorophenyl)cyclopropyl]-4-methylbenzamide
CID 110440424
[1-(3-chlorophenyl)cyclopropyl]carbamic acid
CID 122529573
2,5-dichloro-N-[1-(3-chlorophenyl)cyclopropyl]benzamide
CID 110440796
N-[1-(3-chlorophenyl)cyclopentyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119815411
N-[1-(3-chlorophenyl)cyclopropyl]-3H-benzimidazole-5-carboxamide
CID 110444805

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)cyclopentyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[1-(3-chlorophenyl)cyclopentyl]-1H-pyrazole-4-carboxamide (CID 136515658) is N-[1-(3-chlorophenyl)cyclopentyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[1-(3-chlorophenyl)cyclopentyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[1-(3-chlorophenyl)cyclopentyl]-1H-pyrazole-4-carboxamide is O=C(NC1(c2cccc(Cl)c2)CCCC1)c1cn[nH]c1.
What is the InChIKey of N-[1-(3-chlorophenyl)cyclopentyl]-1H-pyrazole-4-carboxamide?
The InChIKey is WBMASWPYUCXAOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O/c16-13-5-3-4-12(8-13)15(6-1-2-7-15)19-14(20)11-9-17-18-10-11/h3-5,8-10H,1-2,6-7H2,(H,17,18)(H,19,20).
What are the key properties of N-[1-(3-chlorophenyl)cyclopentyl]-1H-pyrazole-4-carboxamide?
N-[1-(3-chlorophenyl)cyclopentyl]-1H-pyrazole-4-carboxamide has a molecular weight of 289.77 g/mol, XLogP of 3.26, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)cyclopentyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 136515658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).