1-[4-[1-(3-methylphenyl)pyrazol-4-yl]piperidin-1-yl]propan-1-one

C18H23N3O — CID 53014219

IUPAC1-[4-[1-(3-methylphenyl)pyrazol-4-yl]piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(c2cnn(-c3cccc(C)c3)c2)CC1
InChIInChI=1S/C18H23N3O/c1-3-18(22)20-9-7-15(8-10-20)16-12-19-21(13-16)17-6-4-5-14(2)11-17/h4-6,11-13,15H,3,7-10H2,1-2H3
InChIKeyAZVHHBUJGSHCDE-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.30
Rot. Bonds3

About 1-[4-[1-(3-methylphenyl)pyrazol-4-yl]piperidin-1-yl]propan-1-one

1-[4-[1-(3-methylphenyl)pyrazol-4-yl]piperidin-1-yl]propan-1-one (PubChem CID 53014219) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 1-[4-[1-(3-methylphenyl)pyrazol-4-yl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-[1-(3-methylphenyl)pyrazol-4-yl]piperidin-1-yl]propan-1-one
PubChem CID53014219
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name1-[4-[1-(3-methylphenyl)pyrazol-4-yl]piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(c2cnn(-c3cccc(C)c3)c2)CC1
InChIInChI=1S/C18H23N3O/c1-3-18(22)20-9-7-15(8-10-20)16-12-19-21(13-16)17-6-4-5-14(2)11-17/h4-6,11-13,15H,3,7-10H2,1-2H3
InChIKeyAZVHHBUJGSHCDE-UHFFFAOYSA-N
XLogP3.30
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[4-[1-(3-methylphenyl)pyrazol-4-yl]piperidin-1-yl]propan-1-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-(3-methylphenyl)pyrazol-4-yl]piperidin-1-yl]propan-1-one?
The IUPAC name of 1-[4-[1-(3-methylphenyl)pyrazol-4-yl]piperidin-1-yl]propan-1-one (CID 53014219) is 1-[4-[1-(3-methylphenyl)pyrazol-4-yl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-[1-(3-methylphenyl)pyrazol-4-yl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-[1-(3-methylphenyl)pyrazol-4-yl]piperidin-1-yl]propan-1-one is CCC(=O)N1CCC(c2cnn(-c3cccc(C)c3)c2)CC1.
What is the InChIKey of 1-[4-[1-(3-methylphenyl)pyrazol-4-yl]piperidin-1-yl]propan-1-one?
The InChIKey is AZVHHBUJGSHCDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-3-18(22)20-9-7-15(8-10-20)16-12-19-21(13-16)17-6-4-5-14(2)11-17/h4-6,11-13,15H,3,7-10H2,1-2H3.
What are the key properties of 1-[4-[1-(3-methylphenyl)pyrazol-4-yl]piperidin-1-yl]propan-1-one?
1-[4-[1-(3-methylphenyl)pyrazol-4-yl]piperidin-1-yl]propan-1-one has a molecular weight of 297.40 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-(3-methylphenyl)pyrazol-4-yl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 53014219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).