1-[(2-pyrazol-1-ylphenyl)methyl]-4-pyridin-3-ylpiperidin-4-ol

C20H22N4O — CID 46967113

IUPAC1-[(2-pyrazol-1-ylphenyl)methyl]-4-pyridin-3-ylpiperidin-4-ol
SMILESOC1(c2cccnc2)CCN(Cc2ccccc2-n2cccn2)CC1
InChIInChI=1S/C20H22N4O/c25-20(18-6-3-10-21-15-18)8-13-23(14-9-20)16-17-5-1-2-7-19(17)24-12-4-11-22-24/h1-7,10-12,15,25H,8-9,13-14,16H2
InChIKeyBBXQQAPGYYELBL-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.75
Rot. Bonds4

About 1-[(2-pyrazol-1-ylphenyl)methyl]-4-pyridin-3-ylpiperidin-4-ol

1-[(2-pyrazol-1-ylphenyl)methyl]-4-pyridin-3-ylpiperidin-4-ol (PubChem CID 46967113) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 1-[(2-pyrazol-1-ylphenyl)methyl]-4-pyridin-3-ylpiperidin-4-ol.

Molecular Properties

Compound Name1-[(2-pyrazol-1-ylphenyl)methyl]-4-pyridin-3-ylpiperidin-4-ol
PubChem CID46967113
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name1-[(2-pyrazol-1-ylphenyl)methyl]-4-pyridin-3-ylpiperidin-4-ol
SMILESOC1(c2cccnc2)CCN(Cc2ccccc2-n2cccn2)CC1
InChIInChI=1S/C20H22N4O/c25-20(18-6-3-10-21-15-18)8-13-23(14-9-20)16-17-5-1-2-7-19(17)24-12-4-11-22-24/h1-7,10-12,15,25H,8-9,13-14,16H2
InChIKeyBBXQQAPGYYELBL-UHFFFAOYSA-N
XLogP2.75
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[(2-pyrazol-1-ylphenyl)methyl]-4-pyridin-3-ylpiperidin-4-ol 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

4-pyridin-3-yl-1-(pyridin-3-ylmethyl)piperidin-4-ol
CID 126470029
1-(2-fluorophenyl)-4-pyridin-3-ylpiperidin-4-ol
CID 162057250
N-[4-(2-fluorophenyl)-1-[(2-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]acetamide
CID 16673738
1-methyl-4-pyridin-3-ylpiperidin-4-ol
CID 4172974
1-[(6-ethoxy-2,3-dihydro-1H-inden-5-yl)methyl]-4-pyridin-3-ylpiperidin-4-ol
CID 46967108
4-(4-fluorophenyl)-1-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]piperidin-4-ol;hydrochloride
CID 171700056
1-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]-4-pyridin-3-ylpiperidin-4-ol
CID 77096460
1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]-4-pyridin-3-ylpiperidin-4-ol
CID 77094509
1-[[2-(oxan-2-yl)pyrazol-3-yl]methyl]-4-pyridin-3-ylpiperidin-4-ol
CID 46967102
1-(azepan-1-yl)-2-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)ethanone
CID 126468362
1-[2-(pyrazol-1-ylmethyl)phenyl]pyrazole
CID 101492467
1-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-4-pyridin-3-ylpiperidin-4-ol
CID 46967098

Frequently Asked Questions

What is the IUPAC name of 1-[(2-pyrazol-1-ylphenyl)methyl]-4-pyridin-3-ylpiperidin-4-ol?
The IUPAC name of 1-[(2-pyrazol-1-ylphenyl)methyl]-4-pyridin-3-ylpiperidin-4-ol (CID 46967113) is 1-[(2-pyrazol-1-ylphenyl)methyl]-4-pyridin-3-ylpiperidin-4-ol.
What is the SMILES notation for 1-[(2-pyrazol-1-ylphenyl)methyl]-4-pyridin-3-ylpiperidin-4-ol?
The canonical SMILES for 1-[(2-pyrazol-1-ylphenyl)methyl]-4-pyridin-3-ylpiperidin-4-ol is OC1(c2cccnc2)CCN(Cc2ccccc2-n2cccn2)CC1.
What is the InChIKey of 1-[(2-pyrazol-1-ylphenyl)methyl]-4-pyridin-3-ylpiperidin-4-ol?
The InChIKey is BBXQQAPGYYELBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c25-20(18-6-3-10-21-15-18)8-13-23(14-9-20)16-17-5-1-2-7-19(17)24-12-4-11-22-24/h1-7,10-12,15,25H,8-9,13-14,16H2.
What are the key properties of 1-[(2-pyrazol-1-ylphenyl)methyl]-4-pyridin-3-ylpiperidin-4-ol?
1-[(2-pyrazol-1-ylphenyl)methyl]-4-pyridin-3-ylpiperidin-4-ol has a molecular weight of 334.42 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-pyrazol-1-ylphenyl)methyl]-4-pyridin-3-ylpiperidin-4-ol is sourced from PubChem (CID 46967113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).