[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]-(2-methylpiperidin-1-yl)methanone

C23H25N3O2 — CID 112793080

IUPAC[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]-(2-methylpiperidin-1-yl)methanone
SMILESCOc1cccc(-c2nn(-c3ccccc3)cc2C(=O)N2CCCCC2C)c1
InChIInChI=1S/C23H25N3O2/c1-17-9-6-7-14-25(17)23(27)21-16-26(19-11-4-3-5-12-19)24-22(21)18-10-8-13-20(15-18)28-2/h3-5,8,10-13,15-17H,6-7,9,14H2,1-2H3
InChIKeyVHECWHUQHHRBPG-UHFFFAOYSA-N
MW375.47 g/mol
LogP4.56
Rot. Bonds4

About [3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]-(2-methylpiperidin-1-yl)methanone

[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]-(2-methylpiperidin-1-yl)methanone (PubChem CID 112793080) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is [3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]-(2-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]-(2-methylpiperidin-1-yl)methanone
PubChem CID112793080
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]-(2-methylpiperidin-1-yl)methanone
SMILESCOc1cccc(-c2nn(-c3ccccc3)cc2C(=O)N2CCCCC2C)c1
InChIInChI=1S/C23H25N3O2/c1-17-9-6-7-14-25(17)23(27)21-16-26(19-11-4-3-5-12-19)24-22(21)18-10-8-13-20(15-18)28-2/h3-5,8,10-13,15-17H,6-7,9,14H2,1-2H3
InChIKeyVHECWHUQHHRBPG-UHFFFAOYSA-N
XLogP4.56
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-[3-(3-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]pyrrolidine-3-carboxylic acid
CID 124693422
[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 43002761
1-[3-(3-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]-N-phenylpiperidine-4-carboxamide
CID 46664061
1-[4-[3-(3-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 52573416
1,4-diazepan-1-yl-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methanone;hydrochloride
CID 119417117
(1,3-diphenylpyrazol-4-yl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 38574762
[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 124613068
[(2S)-2-ethylmorpholin-4-yl]-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methanone
CID 38002651
[2-(cyclopentylamino)-2-oxoethyl] 3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxylate
CID 2357802
1-[(E)-3-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enoyl]piperidine-2-carboxamide
CID 175119065
[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-pyrrolidin-1-ylmethanone
CID 29200826
N,N-diethyl-4-[3-(3-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]piperazine-1-sulfonamide
CID 24598452

Frequently Asked Questions

What is the IUPAC name of [3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]-(2-methylpiperidin-1-yl)methanone?
The IUPAC name of [3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]-(2-methylpiperidin-1-yl)methanone (CID 112793080) is [3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]-(2-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]-(2-methylpiperidin-1-yl)methanone?
The canonical SMILES for [3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]-(2-methylpiperidin-1-yl)methanone is COc1cccc(-c2nn(-c3ccccc3)cc2C(=O)N2CCCCC2C)c1.
What is the InChIKey of [3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]-(2-methylpiperidin-1-yl)methanone?
The InChIKey is VHECWHUQHHRBPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-17-9-6-7-14-25(17)23(27)21-16-26(19-11-4-3-5-12-19)24-22(21)18-10-8-13-20(15-18)28-2/h3-5,8,10-13,15-17H,6-7,9,14H2,1-2H3.
What are the key properties of [3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]-(2-methylpiperidin-1-yl)methanone?
[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]-(2-methylpiperidin-1-yl)methanone has a molecular weight of 375.47 g/mol, XLogP of 4.56, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]-(2-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 112793080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).