1-(4-chlorophenyl)-N-[2-[4-(1-methylpyrazol-4-yl)phenyl]ethyl]cyclopentane-1-carboxamide

C24H26ClN3O — CID 154576822

IUPAC1-(4-chlorophenyl)-N-[2-[4-(1-methylpyrazol-4-yl)phenyl]ethyl]cyclopentane-1-carboxamide
SMILESCn1cc(-c2ccc(CCNC(=O)C3(c4ccc(Cl)cc4)CCCC3)cc2)cn1
InChIInChI=1S/C24H26ClN3O/c1-28-17-20(16-27-28)19-6-4-18(5-7-19)12-15-26-23(29)24(13-2-3-14-24)21-8-10-22(25)11-9-21/h4-11,16-17H,2-3,12-15H2,1H3,(H,26,29)
InChIKeyXMAFOITYMLXEIT-UHFFFAOYSA-N
MW407.95 g/mol
LogP4.91
Rot. Bonds6

About 1-(4-chlorophenyl)-N-[2-[4-(1-methylpyrazol-4-yl)phenyl]ethyl]cyclopentane-1-carboxamide

1-(4-chlorophenyl)-N-[2-[4-(1-methylpyrazol-4-yl)phenyl]ethyl]cyclopentane-1-carboxamide (PubChem CID 154576822) has the molecular formula C24H26ClN3O and a molecular weight of 407.95 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[2-[4-(1-methylpyrazol-4-yl)phenyl]ethyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[2-[4-(1-methylpyrazol-4-yl)phenyl]ethyl]cyclopentane-1-carboxamide
PubChem CID154576822
Molecular FormulaC24H26ClN3O
Molecular Weight407.95 g/mol
Exact Mass407.18
IUPAC Name1-(4-chlorophenyl)-N-[2-[4-(1-methylpyrazol-4-yl)phenyl]ethyl]cyclopentane-1-carboxamide
SMILESCn1cc(-c2ccc(CCNC(=O)C3(c4ccc(Cl)cc4)CCCC3)cc2)cn1
InChIInChI=1S/C24H26ClN3O/c1-28-17-20(16-27-28)19-6-4-18(5-7-19)12-15-26-23(29)24(13-2-3-14-24)21-8-10-22(25)11-9-21/h4-11,16-17H,2-3,12-15H2,1H3,(H,26,29)
InChIKeyXMAFOITYMLXEIT-UHFFFAOYSA-N
XLogP4.91
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.95
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-chlorophenyl)-N-[2-[4-(1-methylpyrazol-4-yl)phenyl]ethyl]cyclopentane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(4-aminophenyl)ethyl]-1-(4-chlorophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119548194
1-(4-chlorophenyl)-N-ethylcyclohexane-1-carboxamide
CID 118534759
1-(4-chlorophenyl)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]cyclohexane-1-carboxamide
CID 90650091
1-(4-chlorophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide
CID 17460142
N-[2-(5-acetylthiophen-2-yl)ethyl]-1-(4-chlorophenyl)cyclopentane-1-carboxamide
CID 91817367
1-amino-N-[2-(1-methylpyrazol-4-yl)ethyl]cyclopentane-1-carboxamide
CID 80682990
N-but-3-ynyl-1-(4-chlorophenyl)cyclopentane-1-carboxamide
CID 90537906
(2S)-2-[2-(4-chlorophenyl)ethylamino]-N-[4-(1-methylpyrazol-4-yl)phenyl]-2-phenylacetamide;(2R)-2-[2-(4-chlorophenyl)ethylamino]-N-[4-(1-methylpyrazol-4-yl)phenyl]-2-phenylacetamide
CID 158662618
2-[2-(4-chlorophenyl)ethylamino]-2-(1-methylpyrazol-4-yl)-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide
CID 139426187
N-[2-[4-(1-methylpyrazol-4-yl)phenyl]ethyl]naphthalene-1-carboxamide
CID 154576814
1-amino-N-[2-(1-methylpyrazol-4-yl)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119292835
1-(4-chlorophenyl)-N-[2-(2-hydroxyphenyl)ethyl]cyclopropane-1-carboxamide
CID 69262751

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[2-[4-(1-methylpyrazol-4-yl)phenyl]ethyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[2-[4-(1-methylpyrazol-4-yl)phenyl]ethyl]cyclopentane-1-carboxamide (CID 154576822) is 1-(4-chlorophenyl)-N-[2-[4-(1-methylpyrazol-4-yl)phenyl]ethyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[2-[4-(1-methylpyrazol-4-yl)phenyl]ethyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[2-[4-(1-methylpyrazol-4-yl)phenyl]ethyl]cyclopentane-1-carboxamide is Cn1cc(-c2ccc(CCNC(=O)C3(c4ccc(Cl)cc4)CCCC3)cc2)cn1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[2-[4-(1-methylpyrazol-4-yl)phenyl]ethyl]cyclopentane-1-carboxamide?
The InChIKey is XMAFOITYMLXEIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN3O/c1-28-17-20(16-27-28)19-6-4-18(5-7-19)12-15-26-23(29)24(13-2-3-14-24)21-8-10-22(25)11-9-21/h4-11,16-17H,2-3,12-15H2,1H3,(H,26,29).
What are the key properties of 1-(4-chlorophenyl)-N-[2-[4-(1-methylpyrazol-4-yl)phenyl]ethyl]cyclopentane-1-carboxamide?
1-(4-chlorophenyl)-N-[2-[4-(1-methylpyrazol-4-yl)phenyl]ethyl]cyclopentane-1-carboxamide has a molecular weight of 407.95 g/mol, XLogP of 4.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[2-[4-(1-methylpyrazol-4-yl)phenyl]ethyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 154576822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).