[1-(3-hydroxyphenyl)-3,5-dimethylpyrazol-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone

C21H28N4O2 — CID 143749415

IUPAC[1-(3-hydroxyphenyl)-3,5-dimethylpyrazol-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
SMILESCc1nn(-c2cccc(O)c2)c(C)c1C(=O)N1CCC(N2CCCC2)CC1
InChIInChI=1S/C21H28N4O2/c1-15-20(16(2)25(22-15)18-6-5-7-19(26)14-18)21(27)24-12-8-17(9-13-24)23-10-3-4-11-23/h5-7,14,17,26H,3-4,8-13H2,1-2H3
InChIKeyWJUKDYZIXPTPKZ-UHFFFAOYSA-N
MW368.48 g/mol
LogP2.90
Rot. Bonds3

About [1-(3-hydroxyphenyl)-3,5-dimethylpyrazol-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone

[1-(3-hydroxyphenyl)-3,5-dimethylpyrazol-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone (PubChem CID 143749415) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is [1-(3-hydroxyphenyl)-3,5-dimethylpyrazol-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[1-(3-hydroxyphenyl)-3,5-dimethylpyrazol-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
PubChem CID143749415
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC Name[1-(3-hydroxyphenyl)-3,5-dimethylpyrazol-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
SMILESCc1nn(-c2cccc(O)c2)c(C)c1C(=O)N1CCC(N2CCCC2)CC1
InChIInChI=1S/C21H28N4O2/c1-15-20(16(2)25(22-15)18-6-5-7-19(26)14-18)21(27)24-12-8-17(9-13-24)23-10-3-4-11-23/h5-7,14,17,26H,3-4,8-13H2,1-2H3
InChIKeyWJUKDYZIXPTPKZ-UHFFFAOYSA-N
XLogP2.90
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [1-(3-hydroxyphenyl)-3,5-dimethylpyrazol-4-yl]-(4-pyrrolidin-1-ylpiperidin-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

(3,5-Dimethyl-1-phenylpyrazol-4-yl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 2608184
[5-Cyclopropyl-3-methyl-1-[3-(trifluoromethoxy)phenyl]pyrazol-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 25141100
[5-cyclopropyl-3-methyl-1-[3-(trifluoromethoxy)phenyl]pyrazol-4-yl]-[4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]piperidin-1-yl]methanone
CID 25206260
[5-cyclopropyl-3-methyl-1-[3-(trifluoromethoxy)phenyl]pyrazol-4-yl]-[4-[(3R)-3-hydroxypyrrolidin-1-yl]piperidin-1-yl]methanone
CID 25206262
[5-cyclopropyl-3-methyl-1-[3-(trifluoromethoxy)phenyl]pyrazol-4-yl]-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]piperidin-1-yl]methanone
CID 57554914
[3,5-Dimethyl-1-[3-(trifluoromethoxy)phenyl]pyrazol-4-yl]-[4-(3-methylpyrrolidin-1-yl)piperidin-1-yl]methanone
CID 57554915
[3,5-dimethyl-1-[3-(trifluoromethoxy)phenyl]pyrazol-4-yl]-[3-[(3R)-3-hydroxypyrrolidin-1-yl]pyrrolidin-1-yl]methanone
CID 57554918
[5-Cyclopropyl-3-methyl-1-[3-(trifluoromethoxy)phenyl]pyrazol-4-yl]-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]methanone
CID 57554921
[5-Cyclopropyl-3-methyl-1-[3-(trifluoromethoxy)phenyl]pyrazol-4-yl]-[4-[2-(hydroxymethyl)-2-methylpyrrolidin-1-yl]piperidin-1-yl]methanone
CID 57554927
[5-cyclopropyl-3-methyl-1-[3-(trifluoromethoxy)phenyl]pyrazol-4-yl]-[(3S,4S)-3-methyl-4-pyrrolidin-1-ylpiperidin-1-yl]methanone
CID 57554928
[5-cyclopropyl-3-methyl-1-[3-(trifluoromethoxy)phenyl]pyrazol-4-yl]-[4-[(2R,3R)-3-hydroxy-2-methylpyrrolidin-1-yl]piperidin-1-yl]methanone
CID 57554930
[5-cyclopropyl-3-methyl-1-[3-(trifluoromethoxy)phenyl]pyrazol-4-yl]-[(2S,4S)-2-(hydroxymethyl)-4-pyrrolidin-1-ylpiperidin-1-yl]methanone
CID 57554931

Frequently Asked Questions

What is the IUPAC name of [1-(3-hydroxyphenyl)-3,5-dimethylpyrazol-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone?
The IUPAC name of [1-(3-hydroxyphenyl)-3,5-dimethylpyrazol-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone (CID 143749415) is [1-(3-hydroxyphenyl)-3,5-dimethylpyrazol-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone.
What is the SMILES notation for [1-(3-hydroxyphenyl)-3,5-dimethylpyrazol-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone?
The canonical SMILES for [1-(3-hydroxyphenyl)-3,5-dimethylpyrazol-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone is Cc1nn(-c2cccc(O)c2)c(C)c1C(=O)N1CCC(N2CCCC2)CC1.
What is the InChIKey of [1-(3-hydroxyphenyl)-3,5-dimethylpyrazol-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone?
The InChIKey is WJUKDYZIXPTPKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-15-20(16(2)25(22-15)18-6-5-7-19(26)14-18)21(27)24-12-8-17(9-13-24)23-10-3-4-11-23/h5-7,14,17,26H,3-4,8-13H2,1-2H3.
What are the key properties of [1-(3-hydroxyphenyl)-3,5-dimethylpyrazol-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone?
[1-(3-hydroxyphenyl)-3,5-dimethylpyrazol-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone has a molecular weight of 368.48 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-hydroxyphenyl)-3,5-dimethylpyrazol-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 143749415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).