4-[4-(4-chlorophenyl)pyrazol-1-yl]-N-cyclopentylbutanamide

C18H22ClN3O — CID 100829513

IUPAC4-[4-(4-chlorophenyl)pyrazol-1-yl]-N-cyclopentylbutanamide
SMILESO=C(CCCn1cc(-c2ccc(Cl)cc2)cn1)NC1CCCC1
InChIInChI=1S/C18H22ClN3O/c19-16-9-7-14(8-10-16)15-12-20-22(13-15)11-3-6-18(23)21-17-4-1-2-5-17/h7-10,12-13,17H,1-6,11H2,(H,21,23)
InChIKeyGIQQIDZSVHQORH-UHFFFAOYSA-N
MW331.85 g/mol
LogP4.04
Rot. Bonds6

About 4-[4-(4-chlorophenyl)pyrazol-1-yl]-N-cyclopentylbutanamide

4-[4-(4-chlorophenyl)pyrazol-1-yl]-N-cyclopentylbutanamide (PubChem CID 100829513) has the molecular formula C18H22ClN3O and a molecular weight of 331.85 g/mol. Its IUPAC name is 4-[4-(4-chlorophenyl)pyrazol-1-yl]-N-cyclopentylbutanamide.

Molecular Properties

Compound Name4-[4-(4-chlorophenyl)pyrazol-1-yl]-N-cyclopentylbutanamide
PubChem CID100829513
Molecular FormulaC18H22ClN3O
Molecular Weight331.85 g/mol
Exact Mass331.15
IUPAC Name4-[4-(4-chlorophenyl)pyrazol-1-yl]-N-cyclopentylbutanamide
SMILESO=C(CCCn1cc(-c2ccc(Cl)cc2)cn1)NC1CCCC1
InChIInChI=1S/C18H22ClN3O/c19-16-9-7-14(8-10-16)15-12-20-22(13-15)11-3-6-18(23)21-17-4-1-2-5-17/h7-10,12-13,17H,1-6,11H2,(H,21,23)
InChIKeyGIQQIDZSVHQORH-UHFFFAOYSA-N
XLogP4.04
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.85
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[4-(4-chlorophenyl)pyrazol-1-yl]-N-cyclopentylbutanamide 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

3-[4-(4-aminophenyl)pyrazol-1-yl]-N-cyclopropylpropanamide
CID 63327873
4-[4-(4-chlorophenyl)pyrazol-1-yl]-N-(4-methylphenyl)butanamide
CID 100830593
3-(4-bromopyrazol-1-yl)-N-cyclohexylpropanamide
CID 19561744
3-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexylpropanamide
CID 51302944
N-cyclopentyl-2-[4-(1-methylpyrazol-4-yl)phenoxy]acetamide
CID 119055385
3-[4-(3-aminophenyl)pyrazol-1-yl]-N-cyclopropylpropanamide
CID 63338279
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[3-(cyclohexylamino)-3-oxopropyl]propanamide
CID 55951696
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-cyclooctylbutanamide
CID 39896911
1-[3-(cyclopropylamino)-3-oxopropyl]pyrazole-4-carboxylic acid
CID 19622515
4-chloro-N-[3-(cyclopentylamino)-3-oxopropyl]benzamide
CID 9215115
3-(4-chlorophenoxy)-N-cyclopentylpropanamide
CID 108790008
4-[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexylbutanamide
CID 42741591

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-chlorophenyl)pyrazol-1-yl]-N-cyclopentylbutanamide?
The IUPAC name of 4-[4-(4-chlorophenyl)pyrazol-1-yl]-N-cyclopentylbutanamide (CID 100829513) is 4-[4-(4-chlorophenyl)pyrazol-1-yl]-N-cyclopentylbutanamide.
What is the SMILES notation for 4-[4-(4-chlorophenyl)pyrazol-1-yl]-N-cyclopentylbutanamide?
The canonical SMILES for 4-[4-(4-chlorophenyl)pyrazol-1-yl]-N-cyclopentylbutanamide is O=C(CCCn1cc(-c2ccc(Cl)cc2)cn1)NC1CCCC1.
What is the InChIKey of 4-[4-(4-chlorophenyl)pyrazol-1-yl]-N-cyclopentylbutanamide?
The InChIKey is GIQQIDZSVHQORH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O/c19-16-9-7-14(8-10-16)15-12-20-22(13-15)11-3-6-18(23)21-17-4-1-2-5-17/h7-10,12-13,17H,1-6,11H2,(H,21,23).
What are the key properties of 4-[4-(4-chlorophenyl)pyrazol-1-yl]-N-cyclopentylbutanamide?
4-[4-(4-chlorophenyl)pyrazol-1-yl]-N-cyclopentylbutanamide has a molecular weight of 331.85 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-chlorophenyl)pyrazol-1-yl]-N-cyclopentylbutanamide is sourced from PubChem (CID 100829513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).