1-(4-chlorophenyl)-N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]cyclopentane-1-carboxamide

C22H25ClN4OS — CID 71802086

IUPAC1-(4-chlorophenyl)-N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]cyclopentane-1-carboxamide
SMILESCc1cc(C)n(-c2nc(CCNC(=O)C3(c4ccc(Cl)cc4)CCCC3)cs2)n1
InChIInChI=1S/C22H25ClN4OS/c1-15-13-16(2)27(26-15)21-25-19(14-29-21)9-12-24-20(28)22(10-3-4-11-22)17-5-7-18(23)8-6-17/h5-8,13-14H,3-4,9-12H2,1-2H3,(H,24,28)
InChIKeyCPLNEOMDZYDFSI-UHFFFAOYSA-N
MW428.99 g/mol
LogP4.77
Rot. Bonds6

About 1-(4-chlorophenyl)-N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]cyclopentane-1-carboxamide

1-(4-chlorophenyl)-N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]cyclopentane-1-carboxamide (PubChem CID 71802086) has the molecular formula C22H25ClN4OS and a molecular weight of 428.99 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]cyclopentane-1-carboxamide
PubChem CID71802086
Molecular FormulaC22H25ClN4OS
Molecular Weight428.99 g/mol
Exact Mass428.14
IUPAC Name1-(4-chlorophenyl)-N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]cyclopentane-1-carboxamide
SMILESCc1cc(C)n(-c2nc(CCNC(=O)C3(c4ccc(Cl)cc4)CCCC3)cs2)n1
InChIInChI=1S/C22H25ClN4OS/c1-15-13-16(2)27(26-15)21-25-19(14-29-21)9-12-24-20(28)22(10-3-4-11-22)17-5-7-18(23)8-6-17/h5-8,13-14H,3-4,9-12H2,1-2H3,(H,24,28)
InChIKeyCPLNEOMDZYDFSI-UHFFFAOYSA-N
XLogP4.77
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.99
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(4-chlorophenyl)-N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]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-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]acetamide
CID 90570810
1-(4-chlorophenyl)-N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]cyclopentane-1-carboxamide
CID 122293069
N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-2-fluorobenzamide
CID 71802075
1-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-3-[(4-methoxyphenyl)methyl]urea
CID 71802122
N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-4-phenylbenzamide
CID 90570882
N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-2-thiophen-2-ylacetamide
CID 71802085
N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]naphthalene-1-carboxamide
CID 90570879
N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-2-(3-methylphenyl)acetamide
CID 90570906
4-(dimethylamino)-N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]benzamide
CID 90570959
N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-2-(4-ethoxyphenyl)acetamide
CID 90570902
1-(4-chlorophenyl)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]cyclohexane-1-carboxamide
CID 90650091
ethyl 4-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethylamino]-4-oxobutanoate
CID 71802072

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]cyclopentane-1-carboxamide (CID 71802086) is 1-(4-chlorophenyl)-N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]cyclopentane-1-carboxamide is Cc1cc(C)n(-c2nc(CCNC(=O)C3(c4ccc(Cl)cc4)CCCC3)cs2)n1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]cyclopentane-1-carboxamide?
The InChIKey is CPLNEOMDZYDFSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN4OS/c1-15-13-16(2)27(26-15)21-25-19(14-29-21)9-12-24-20(28)22(10-3-4-11-22)17-5-7-18(23)8-6-17/h5-8,13-14H,3-4,9-12H2,1-2H3,(H,24,28).
What are the key properties of 1-(4-chlorophenyl)-N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]cyclopentane-1-carboxamide?
1-(4-chlorophenyl)-N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]cyclopentane-1-carboxamide has a molecular weight of 428.99 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 71802086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).