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

C23H25N3O2 — CID 154850398

IUPAC[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-(3-phenoxypiperidin-1-yl)methanone
SMILESCc1ccc(-c2cc(C(=O)N3CCCC(Oc4ccccc4)C3)[nH]n2)cc1C
InChIInChI=1S/C23H25N3O2/c1-16-10-11-18(13-17(16)2)21-14-22(25-24-21)23(27)26-12-6-9-20(15-26)28-19-7-4-3-5-8-19/h3-5,7-8,10-11,13-14,20H,6,9,12,15H2,1-2H3,(H,24,25)
InChIKeyFSGKHQVTECGMGF-UHFFFAOYSA-N
MW375.47 g/mol
LogP4.38
Rot. Bonds4

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

[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-(3-phenoxypiperidin-1-yl)methanone (PubChem CID 154850398) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is [3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-(3-phenoxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-(3-phenoxypiperidin-1-yl)methanone
PubChem CID154850398
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-(3-phenoxypiperidin-1-yl)methanone
SMILESCc1ccc(-c2cc(C(=O)N3CCCC(Oc4ccccc4)C3)[nH]n2)cc1C
InChIInChI=1S/C23H25N3O2/c1-16-10-11-18(13-17(16)2)21-14-22(25-24-21)23(27)26-12-6-9-20(15-26)28-19-7-4-3-5-8-19/h3-5,7-8,10-11,13-14,20H,6,9,12,15H2,1-2H3,(H,24,25)
InChIKeyFSGKHQVTECGMGF-UHFFFAOYSA-N
XLogP4.38
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-(3-phenoxypiperidin-1-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

(3-ethoxypiperidin-1-yl)-(3-phenyl-1H-pyrazol-5-yl)methanone
CID 47911164
[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-[(3R,4R)-4-hydroxy-3-methylpiperidin-1-yl]methanone
CID 100634778
[(3R)-3-methylpiperidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone
CID 27258020
(4-benzylpiperidin-1-yl)-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]methanone
CID 20918352
(4-cyclopentylpiperazin-1-yl)-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]methanone
CID 20918366
[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone
CID 90639018
[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-(3-naphthalen-2-yl-1H-pyrazol-5-yl)methanone
CID 154842099
[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 20906534
(3-phenyl-1H-pyrazol-5-yl)-(3-pyridazin-3-yloxypyrrolidin-1-yl)methanone
CID 90638178
3-(4-cyclobutyloxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 117399119
[3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone
CID 90636845
[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-[(3S)-3-(3-methylphenyl)piperidin-1-yl]methanone
CID 97124854

Frequently Asked Questions

What is the IUPAC name of [3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-(3-phenoxypiperidin-1-yl)methanone?
The IUPAC name of [3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-(3-phenoxypiperidin-1-yl)methanone (CID 154850398) is [3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-(3-phenoxypiperidin-1-yl)methanone.
What is the SMILES notation for [3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-(3-phenoxypiperidin-1-yl)methanone?
The canonical SMILES for [3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-(3-phenoxypiperidin-1-yl)methanone is Cc1ccc(-c2cc(C(=O)N3CCCC(Oc4ccccc4)C3)[nH]n2)cc1C.
What is the InChIKey of [3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-(3-phenoxypiperidin-1-yl)methanone?
The InChIKey is FSGKHQVTECGMGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-16-10-11-18(13-17(16)2)21-14-22(25-24-21)23(27)26-12-6-9-20(15-26)28-19-7-4-3-5-8-19/h3-5,7-8,10-11,13-14,20H,6,9,12,15H2,1-2H3,(H,24,25).
What are the key properties of [3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-(3-phenoxypiperidin-1-yl)methanone?
[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-(3-phenoxypiperidin-1-yl)methanone has a molecular weight of 375.47 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-(3-phenoxypiperidin-1-yl)methanone is sourced from PubChem (CID 154850398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).