1-[3-(2-hydroxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-piperidin-1-ylethanone

C22H25N3O2 — CID 118726142

IUPAC1-[3-(2-hydroxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-piperidin-1-ylethanone
SMILESO=C(CN1CCCCC1)N1N=C(c2ccccc2)CC1c1ccccc1O
InChIInChI=1S/C22H25N3O2/c26-21-12-6-5-11-18(21)20-15-19(17-9-3-1-4-10-17)23-25(20)22(27)16-24-13-7-2-8-14-24/h1,3-6,9-12,20,26H,2,7-8,13-16H2
InChIKeyVXYHYCDUSKWNIC-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.56
Rot. Bonds4

About 1-[3-(2-hydroxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-piperidin-1-ylethanone

1-[3-(2-hydroxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-piperidin-1-ylethanone (PubChem CID 118726142) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 1-[3-(2-hydroxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-piperidin-1-ylethanone.

Molecular Properties

Compound Name1-[3-(2-hydroxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-piperidin-1-ylethanone
PubChem CID118726142
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name1-[3-(2-hydroxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-piperidin-1-ylethanone
SMILESO=C(CN1CCCCC1)N1N=C(c2ccccc2)CC1c1ccccc1O
InChIInChI=1S/C22H25N3O2/c26-21-12-6-5-11-18(21)20-15-19(17-9-3-1-4-10-17)23-25(20)22(27)16-24-13-7-2-8-14-24/h1,3-6,9-12,20,26H,2,7-8,13-16H2
InChIKeyVXYHYCDUSKWNIC-UHFFFAOYSA-N
XLogP3.56
TPSA56.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

Pac-1
CID 135421197
(E)-2-(4-benzylpiperazin-1-yl)-N'-(2-hydroxybenzylidene)acetohydrazide
CID 135501892
1-[(5S)-3-(2,5-difluorophenyl)-5-(3-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one
CID 24901498
N'-(3-allyl-2-hydroxybenzylidene)-2-(4-benzyl-1-piperazinyl)acetohydrazide
CID 135457726
1-(3-(2,4-dihydroxyphenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)ethanone
CID 135509938
N'-[(1E)-1-(2-hydroxyphenyl)ethylidene]-2-piperidin-1-ylacetohydrazide
CID 135671630
N'-[(6-oxo-5-prop-2-enyl-1-cyclohexa-2,4-dienylidene)methyl]-2-[4-(phenylmethyl)-1-piperazinyl]acetohydrazide
CID 1185541
1-[3-(2,5-Difluoro-phenyl)-5-(3-hydroxy-phenyl)-4,5-dihydro-pyrazol-1-yl]-ethanone
CID 10236645
1-[3-(4-Hydroxy-phenyl)-5-p-tolyl-4,5-dihydro-pyrazol-1-yl]-ethanone
CID 135514579
2-(4-benzylpiperazin-1-yl)-N-[(E)-[2-hydroxy-3,5-bis(prop-2-enyl)phenyl]methylideneamino]acetamide
CID 135875939
2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]acetamide
CID 135875948
(3,5-diphenyl-4,5-dihydro-1H-pyrazol-1-yl)(2-hydroxyphenyl)acetonitrile
CID 3796941

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-hydroxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-piperidin-1-ylethanone?
The IUPAC name of 1-[3-(2-hydroxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-piperidin-1-ylethanone (CID 118726142) is 1-[3-(2-hydroxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-piperidin-1-ylethanone.
What is the SMILES notation for 1-[3-(2-hydroxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-piperidin-1-ylethanone?
The canonical SMILES for 1-[3-(2-hydroxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-piperidin-1-ylethanone is O=C(CN1CCCCC1)N1N=C(c2ccccc2)CC1c1ccccc1O.
What is the InChIKey of 1-[3-(2-hydroxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-piperidin-1-ylethanone?
The InChIKey is VXYHYCDUSKWNIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c26-21-12-6-5-11-18(21)20-15-19(17-9-3-1-4-10-17)23-25(20)22(27)16-24-13-7-2-8-14-24/h1,3-6,9-12,20,26H,2,7-8,13-16H2.
What are the key properties of 1-[3-(2-hydroxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-piperidin-1-ylethanone?
1-[3-(2-hydroxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-piperidin-1-ylethanone has a molecular weight of 363.46 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-hydroxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-piperidin-1-ylethanone is sourced from PubChem (CID 118726142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).