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

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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).