2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-2-(2-hydroxyphenyl)acetonitrile

C23H19N3O — CID 3796941

IUPAC2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-2-(2-hydroxyphenyl)acetonitrile
SMILESN#CC(c1ccccc1O)N1N=C(c2ccccc2)CC1c1ccccc1
InChIInChI=1S/C23H19N3O/c24-16-22(19-13-7-8-14-23(19)27)26-21(18-11-5-2-6-12-18)15-20(25-26)17-9-3-1-4-10-17/h1-14,21-22,27H,15H2
InChIKeyYGDITCBMINIEBS-UHFFFAOYSA-N
MW353.43 g/mol
LogP4.81
Rot. Bonds4

About 2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-2-(2-hydroxyphenyl)acetonitrile

2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-2-(2-hydroxyphenyl)acetonitrile (PubChem CID 3796941) has the molecular formula C23H19N3O and a molecular weight of 353.43 g/mol. Its IUPAC name is 2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-2-(2-hydroxyphenyl)acetonitrile.

Molecular Properties

Compound Name2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-2-(2-hydroxyphenyl)acetonitrile
PubChem CID3796941
Molecular FormulaC23H19N3O
Molecular Weight353.43 g/mol
Exact Mass353.15
IUPAC Name2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-2-(2-hydroxyphenyl)acetonitrile
SMILESN#CC(c1ccccc1O)N1N=C(c2ccccc2)CC1c1ccccc1
InChIInChI=1S/C23H19N3O/c24-16-22(19-13-7-8-14-23(19)27)26-21(18-11-5-2-6-12-18)15-20(25-26)17-9-3-1-4-10-17/h1-14,21-22,27H,15H2
InChIKeyYGDITCBMINIEBS-UHFFFAOYSA-N
XLogP4.81
TPSA59.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 54.81
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

2-(2-hydroxyphenyl)-2-(3,5,5-trimethyl-4H-pyrazol-1-yl)acetonitrile
CID 2925050
2-(1,5-diphenyl-4,5-dihydro-1H-pyrazol-3-yl)phenol
CID 248317
(5Z)-5-benzylidene-4-[3-(2-hydroxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-2-one
CID 42604626
1-[3-(2-Hydroxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-piperidin-1-ylethanone
CID 118726142
4-[(E)-(dibenzylhydrazinylidene)methyl]phenol
CID 135409477
4-[3-(2-Fluorophenyl)-2-methyl-3,4-dihydropyrazol-5-yl]phenol
CID 136232998
4-[3-(3-Fluorophenyl)-2-methyl-3,4-dihydropyrazol-5-yl]phenol
CID 136232999
4-[3-(4-Fluorophenyl)-2-methyl-3,4-dihydropyrazol-5-yl]phenol
CID 136233000
4-[2-Methyl-3-(3-methylphenyl)-3,4-dihydropyrazol-5-yl]phenol
CID 136233006
4-[2-Methyl-3-(4-methylphenyl)-3,4-dihydropyrazol-5-yl]phenol
CID 136233007
2-(1-acetyl-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)phenol
CID 135406645
1-[(3S)-3,5-bis(2-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone
CID 136126598

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-2-(2-hydroxyphenyl)acetonitrile?
The IUPAC name of 2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-2-(2-hydroxyphenyl)acetonitrile (CID 3796941) is 2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-2-(2-hydroxyphenyl)acetonitrile.
What is the SMILES notation for 2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-2-(2-hydroxyphenyl)acetonitrile?
The canonical SMILES for 2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-2-(2-hydroxyphenyl)acetonitrile is N#CC(c1ccccc1O)N1N=C(c2ccccc2)CC1c1ccccc1.
What is the InChIKey of 2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-2-(2-hydroxyphenyl)acetonitrile?
The InChIKey is YGDITCBMINIEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O/c24-16-22(19-13-7-8-14-23(19)27)26-21(18-11-5-2-6-12-18)15-20(25-26)17-9-3-1-4-10-17/h1-14,21-22,27H,15H2.
What are the key properties of 2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-2-(2-hydroxyphenyl)acetonitrile?
2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-2-(2-hydroxyphenyl)acetonitrile has a molecular weight of 353.43 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-2-(2-hydroxyphenyl)acetonitrile is sourced from PubChem (CID 3796941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).