4-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-1-methylpiperidin-2-one

C20H19ClN4O — CID 22953866

IUPAC4-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-1-methylpiperidin-2-one
SMILESCN1CCC(c2[nH]nc(-c3ccc(Cl)cc3)c2-c2ccncc2)CC1=O
InChIInChI=1S/C20H19ClN4O/c1-25-11-8-15(12-17(25)26)20-18(13-6-9-22-10-7-13)19(23-24-20)14-2-4-16(21)5-3-14/h2-7,9-10,15H,8,11-12H2,1H3,(H,23,24)
InChIKeyCYKQZNFMHNWVRF-UHFFFAOYSA-N
MW366.85 g/mol
LogP4.13
Rot. Bonds3

About 4-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-1-methylpiperidin-2-one

4-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-1-methylpiperidin-2-one (PubChem CID 22953866) has the molecular formula C20H19ClN4O and a molecular weight of 366.85 g/mol. Its IUPAC name is 4-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-1-methylpiperidin-2-one.

Molecular Properties

Compound Name4-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-1-methylpiperidin-2-one
PubChem CID22953866
Molecular FormulaC20H19ClN4O
Molecular Weight366.85 g/mol
Exact Mass366.12
IUPAC Name4-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-1-methylpiperidin-2-one
SMILESCN1CCC(c2[nH]nc(-c3ccc(Cl)cc3)c2-c2ccncc2)CC1=O
InChIInChI=1S/C20H19ClN4O/c1-25-11-8-15(12-17(25)26)20-18(13-6-9-22-10-7-13)19(23-24-20)14-2-4-16(21)5-3-14/h2-7,9-10,15H,8,11-12H2,1H3,(H,23,24)
InChIKeyCYKQZNFMHNWVRF-UHFFFAOYSA-N
XLogP4.13
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-1-methylpiperidin-2-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 4-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-1-methylpiperidin-2-one?
The IUPAC name of 4-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-1-methylpiperidin-2-one (CID 22953866) is 4-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-1-methylpiperidin-2-one.
What is the SMILES notation for 4-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-1-methylpiperidin-2-one?
The canonical SMILES for 4-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-1-methylpiperidin-2-one is CN1CCC(c2[nH]nc(-c3ccc(Cl)cc3)c2-c2ccncc2)CC1=O.
What is the InChIKey of 4-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-1-methylpiperidin-2-one?
The InChIKey is CYKQZNFMHNWVRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O/c1-25-11-8-15(12-17(25)26)20-18(13-6-9-22-10-7-13)19(23-24-20)14-2-4-16(21)5-3-14/h2-7,9-10,15H,8,11-12H2,1H3,(H,23,24).
What are the key properties of 4-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-1-methylpiperidin-2-one?
4-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-1-methylpiperidin-2-one has a molecular weight of 366.85 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-1-methylpiperidin-2-one is sourced from PubChem (CID 22953866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).