(4-benzylpiperidin-1-yl)-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]methanone

C24H27N3O — CID 20918352

IUPAC(4-benzylpiperidin-1-yl)-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]methanone
SMILESCc1ccc(-c2cc(C(=O)N3CCC(Cc4ccccc4)CC3)[nH]n2)cc1C
InChIInChI=1S/C24H27N3O/c1-17-8-9-21(14-18(17)2)22-16-23(26-25-22)24(28)27-12-10-20(11-13-27)15-19-6-4-3-5-7-19/h3-9,14,16,20H,10-13,15H2,1-2H3,(H,25,26)
InChIKeyCQJJQXMEWCIHNP-UHFFFAOYSA-N
MW373.50 g/mol
LogP4.79
Rot. Bonds4

About (4-benzylpiperidin-1-yl)-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]methanone

(4-benzylpiperidin-1-yl)-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]methanone (PubChem CID 20918352) has the molecular formula C24H27N3O and a molecular weight of 373.50 g/mol. Its IUPAC name is (4-benzylpiperidin-1-yl)-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]methanone.

Molecular Properties

Compound Name(4-benzylpiperidin-1-yl)-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]methanone
PubChem CID20918352
Molecular FormulaC24H27N3O
Molecular Weight373.50 g/mol
Exact Mass373.22
IUPAC Name(4-benzylpiperidin-1-yl)-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]methanone
SMILESCc1ccc(-c2cc(C(=O)N3CCC(Cc4ccccc4)CC3)[nH]n2)cc1C
InChIInChI=1S/C24H27N3O/c1-17-8-9-21(14-18(17)2)22-16-23(26-25-22)24(28)27-12-10-20(11-13-27)15-19-6-4-3-5-7-19/h3-9,14,16,20H,10-13,15H2,1-2H3,(H,25,26)
InChIKeyCQJJQXMEWCIHNP-UHFFFAOYSA-N
XLogP4.79
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-[(3R,4R)-4-hydroxy-3-methylpiperidin-1-yl]methanone
CID 100634778
(4-cyclopentylpiperazin-1-yl)-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]methanone
CID 20918366
[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-(3-phenoxypiperidin-1-yl)methanone
CID 154850398
1-[4-[3-(3,4-dimethylphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]-3-methylbutan-1-one
CID 20910973
[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 20906534
[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 20906544
(4-benzylpiperidin-1-yl)-(4,5-dimethyl-1H-pyrazol-3-yl)methanone
CID 110855772
[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]-[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]methanone
CID 70848755
1-[4-[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]-3-phenylpropan-1-one
CID 71946719
3-(4-benzylpiperidine-1-carbonyl)-5,6-dimethyl-1H-pyrazin-2-one
CID 154795486
(4-benzylpiperidin-1-yl)-[1-(2,5-dimethylphenyl)-3-(4-methoxyphenyl)pyrazol-5-yl]methanone
CID 42755403
(4-benzylpiperidin-1-yl)-[5-(3,4-dimethylphenyl)-1-[(3R)-1,1-dioxothiolan-3-yl]pyrazol-3-yl]methanone
CID 51662645

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperidin-1-yl)-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]methanone?
The IUPAC name of (4-benzylpiperidin-1-yl)-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]methanone (CID 20918352) is (4-benzylpiperidin-1-yl)-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]methanone.
What is the SMILES notation for (4-benzylpiperidin-1-yl)-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]methanone?
The canonical SMILES for (4-benzylpiperidin-1-yl)-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]methanone is Cc1ccc(-c2cc(C(=O)N3CCC(Cc4ccccc4)CC3)[nH]n2)cc1C.
What is the InChIKey of (4-benzylpiperidin-1-yl)-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]methanone?
The InChIKey is CQJJQXMEWCIHNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O/c1-17-8-9-21(14-18(17)2)22-16-23(26-25-22)24(28)27-12-10-20(11-13-27)15-19-6-4-3-5-7-19/h3-9,14,16,20H,10-13,15H2,1-2H3,(H,25,26).
What are the key properties of (4-benzylpiperidin-1-yl)-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]methanone?
(4-benzylpiperidin-1-yl)-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]methanone has a molecular weight of 373.50 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperidin-1-yl)-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]methanone is sourced from PubChem (CID 20918352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).