[1-(2-chlorophenyl)-3-(3,4-dimethylphenyl)pyrazol-5-yl]-(4-methylpiperidin-1-yl)methanone

C24H26ClN3O — CID 3926712

IUPAC[1-(2-chlorophenyl)-3-(3,4-dimethylphenyl)pyrazol-5-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCc1ccc(-c2cc(C(=O)N3CCC(C)CC3)n(-c3ccccc3Cl)n2)cc1C
InChIInChI=1S/C24H26ClN3O/c1-16-10-12-27(13-11-16)24(29)23-15-21(19-9-8-17(2)18(3)14-19)26-28(23)22-7-5-4-6-20(22)25/h4-9,14-16H,10-13H2,1-3H3
InChIKeyWQGYSLKFMQRVLK-UHFFFAOYSA-N
MW407.95 g/mol
LogP5.68
Rot. Bonds3

About [1-(2-chlorophenyl)-3-(3,4-dimethylphenyl)pyrazol-5-yl]-(4-methylpiperidin-1-yl)methanone

[1-(2-chlorophenyl)-3-(3,4-dimethylphenyl)pyrazol-5-yl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 3926712) has the molecular formula C24H26ClN3O and a molecular weight of 407.95 g/mol. Its IUPAC name is [1-(2-chlorophenyl)-3-(3,4-dimethylphenyl)pyrazol-5-yl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[1-(2-chlorophenyl)-3-(3,4-dimethylphenyl)pyrazol-5-yl]-(4-methylpiperidin-1-yl)methanone
PubChem CID3926712
Molecular FormulaC24H26ClN3O
Molecular Weight407.95 g/mol
Exact Mass407.18
IUPAC Name[1-(2-chlorophenyl)-3-(3,4-dimethylphenyl)pyrazol-5-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCc1ccc(-c2cc(C(=O)N3CCC(C)CC3)n(-c3ccccc3Cl)n2)cc1C
InChIInChI=1S/C24H26ClN3O/c1-16-10-12-27(13-11-16)24(29)23-15-21(19-9-8-17(2)18(3)14-19)26-28(23)22-7-5-4-6-20(22)25/h4-9,14-16H,10-13H2,1-3H3
InChIKeyWQGYSLKFMQRVLK-UHFFFAOYSA-N
XLogP5.68
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.95
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2-chlorophenyl)-3-(3,4-dimethylphenyl)pyrazol-5-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 3403383
N-[(2S)-butan-2-yl]-1-(2-chlorophenyl)-3-(3,4-dimethylphenyl)pyrazole-5-carboxamide
CID 7218983
[1-(2-chlorophenyl)-3-phenylpyrazol-5-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone
CID 7249326
[1-(2-chlorophenyl)-3-(3-methoxyphenyl)pyrazol-5-yl]-morpholin-4-ylmethanone
CID 3999491
[1-(2-chlorophenyl)-3-(1-methylpyrrol-2-yl)pyrazol-5-yl]-[4-(2-chlorophenyl)piperazin-1-yl]methanone
CID 3965853
ethyl 1-[1-(2-chlorophenyl)-3-(4-fluorophenyl)pyrazole-5-carbonyl]piperidine-3-carboxylate
CID 42758468
(4-benzylpiperidin-1-yl)-[1-(2-chlorophenyl)-3-(5-methylfuran-2-yl)pyrazol-5-yl]methanone
CID 3683577
1-[1-(2-chlorophenyl)-3-(2,4-dimethoxyphenyl)pyrazole-5-carbonyl]piperidine-4-carboxamide
CID 42759040
[1-(2-chlorophenyl)-3-phenylpyrazol-5-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 3907292
(4-benzhydrylpiperazin-1-yl)-[1-(2-chlorophenyl)-3-(3-methoxyphenyl)pyrazol-5-yl]methanone
CID 42758695
ethyl 1-[1-(2-chlorophenyl)-3-(4-nitrophenyl)pyrazole-5-carbonyl]piperidine-3-carboxylate
CID 5124414
[3-(3,4-dimethylphenyl)-1-(4-nitrophenyl)pyrazol-5-yl]-piperidin-1-ylmethanone
CID 5030798

Frequently Asked Questions

What is the IUPAC name of [1-(2-chlorophenyl)-3-(3,4-dimethylphenyl)pyrazol-5-yl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [1-(2-chlorophenyl)-3-(3,4-dimethylphenyl)pyrazol-5-yl]-(4-methylpiperidin-1-yl)methanone (CID 3926712) is [1-(2-chlorophenyl)-3-(3,4-dimethylphenyl)pyrazol-5-yl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [1-(2-chlorophenyl)-3-(3,4-dimethylphenyl)pyrazol-5-yl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [1-(2-chlorophenyl)-3-(3,4-dimethylphenyl)pyrazol-5-yl]-(4-methylpiperidin-1-yl)methanone is Cc1ccc(-c2cc(C(=O)N3CCC(C)CC3)n(-c3ccccc3Cl)n2)cc1C.
What is the InChIKey of [1-(2-chlorophenyl)-3-(3,4-dimethylphenyl)pyrazol-5-yl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is WQGYSLKFMQRVLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN3O/c1-16-10-12-27(13-11-16)24(29)23-15-21(19-9-8-17(2)18(3)14-19)26-28(23)22-7-5-4-6-20(22)25/h4-9,14-16H,10-13H2,1-3H3.
What are the key properties of [1-(2-chlorophenyl)-3-(3,4-dimethylphenyl)pyrazol-5-yl]-(4-methylpiperidin-1-yl)methanone?
[1-(2-chlorophenyl)-3-(3,4-dimethylphenyl)pyrazol-5-yl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 407.95 g/mol, XLogP of 5.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-chlorophenyl)-3-(3,4-dimethylphenyl)pyrazol-5-yl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 3926712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).