(4-chlorophenyl)-[1-(1-methyl-3-propylpyrazole-5-carbonyl)piperidin-3-yl]methanone

C20H24ClN3O2 — CID 24793858

IUPAC(4-chlorophenyl)-[1-(1-methyl-3-propylpyrazole-5-carbonyl)piperidin-3-yl]methanone
SMILESCCCc1cc(C(=O)N2CCCC(C(=O)c3ccc(Cl)cc3)C2)n(C)n1
InChIInChI=1S/C20H24ClN3O2/c1-3-5-17-12-18(23(2)22-17)20(26)24-11-4-6-15(13-24)19(25)14-7-9-16(21)10-8-14/h7-10,12,15H,3-6,11,13H2,1-2H3
InChIKeyVJNSPRURHIAAAA-UHFFFAOYSA-N
MW373.88 g/mol
LogP3.76
Rot. Bonds5

About (4-chlorophenyl)-[1-(1-methyl-3-propylpyrazole-5-carbonyl)piperidin-3-yl]methanone

(4-chlorophenyl)-[1-(1-methyl-3-propylpyrazole-5-carbonyl)piperidin-3-yl]methanone (PubChem CID 24793858) has the molecular formula C20H24ClN3O2 and a molecular weight of 373.88 g/mol. Its IUPAC name is (4-chlorophenyl)-[1-(1-methyl-3-propylpyrazole-5-carbonyl)piperidin-3-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[1-(1-methyl-3-propylpyrazole-5-carbonyl)piperidin-3-yl]methanone
PubChem CID24793858
Molecular FormulaC20H24ClN3O2
Molecular Weight373.88 g/mol
Exact Mass373.16
IUPAC Name(4-chlorophenyl)-[1-(1-methyl-3-propylpyrazole-5-carbonyl)piperidin-3-yl]methanone
SMILESCCCc1cc(C(=O)N2CCCC(C(=O)c3ccc(Cl)cc3)C2)n(C)n1
InChIInChI=1S/C20H24ClN3O2/c1-3-5-17-12-18(23(2)22-17)20(26)24-11-4-6-15(13-24)19(25)14-7-9-16(21)10-8-14/h7-10,12,15H,3-6,11,13H2,1-2H3
InChIKeyVJNSPRURHIAAAA-UHFFFAOYSA-N
XLogP3.76
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.88
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4-chlorophenyl)-[1-(1-methyl-3-propylpyrazole-5-carbonyl)piperidin-3-yl]methanone 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

Dipeptidyl nitrile inhibitor, 23
CID 44224133
2-(2-Chlorophenyl)-3-(4-chlorophenyl)-6-propan-2-yl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
CID 21868807
Cathepsin inhibitor 1
CID 44224135
Nvs-bet-1
CID 86294693
2-(2-Chlorophenyl)-3-(4-chlorophenyl)-6-ethyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
CID 42617976
2-(2-Chlorophenyl)-3-(4-chlorophenyl)-6-(2-methylpropyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
CID 42617977
6-Tert-butyl-2-(2-chlorophenyl)-3-(4-chlorophenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
CID 42617978
Dipeptidyl nitrile inhibitor, 19
CID 44224129
Dipeptidyl nitrile inhibitor, 24
CID 44224134
1-(4-Chlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)ethanone
CID 5163692
(Z)-1-(4-chlorophenyl)-3-(dimethylamino)-2-(3,5-dimethylpyrazol-1-yl)prop-2-en-1-one
CID 6517721
(4-Chloro-phenyl)-(2-methyl-2H-pyrazol-3-yl)-methanone
CID 603786

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[1-(1-methyl-3-propylpyrazole-5-carbonyl)piperidin-3-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[1-(1-methyl-3-propylpyrazole-5-carbonyl)piperidin-3-yl]methanone (CID 24793858) is (4-chlorophenyl)-[1-(1-methyl-3-propylpyrazole-5-carbonyl)piperidin-3-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[1-(1-methyl-3-propylpyrazole-5-carbonyl)piperidin-3-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[1-(1-methyl-3-propylpyrazole-5-carbonyl)piperidin-3-yl]methanone is CCCc1cc(C(=O)N2CCCC(C(=O)c3ccc(Cl)cc3)C2)n(C)n1.
What is the InChIKey of (4-chlorophenyl)-[1-(1-methyl-3-propylpyrazole-5-carbonyl)piperidin-3-yl]methanone?
The InChIKey is VJNSPRURHIAAAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O2/c1-3-5-17-12-18(23(2)22-17)20(26)24-11-4-6-15(13-24)19(25)14-7-9-16(21)10-8-14/h7-10,12,15H,3-6,11,13H2,1-2H3.
What are the key properties of (4-chlorophenyl)-[1-(1-methyl-3-propylpyrazole-5-carbonyl)piperidin-3-yl]methanone?
(4-chlorophenyl)-[1-(1-methyl-3-propylpyrazole-5-carbonyl)piperidin-3-yl]methanone has a molecular weight of 373.88 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[1-(1-methyl-3-propylpyrazole-5-carbonyl)piperidin-3-yl]methanone is sourced from PubChem (CID 24793858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).