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

C24H21N3O2 — CID 2925826

IUPAC2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-2-(4-hydroxy-3-methoxyphenyl)acetonitrile
SMILESCOc1cc(C(C#N)N2N=C(c3ccccc3)CC2c2ccccc2)ccc1O
InChIInChI=1S/C24H21N3O2/c1-29-24-14-19(12-13-23(24)28)22(16-25)27-21(18-10-6-3-7-11-18)15-20(26-27)17-8-4-2-5-9-17/h2-14,21-22,28H,15H2,1H3
InChIKeyLDPSJDUBOPDQBV-UHFFFAOYSA-N
MW383.45 g/mol
LogP4.82
Rot. Bonds5

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

2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-2-(4-hydroxy-3-methoxyphenyl)acetonitrile (PubChem CID 2925826) has the molecular formula C24H21N3O2 and a molecular weight of 383.45 g/mol. Its IUPAC name is 2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-2-(4-hydroxy-3-methoxyphenyl)acetonitrile.

Molecular Properties

Compound Name2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-2-(4-hydroxy-3-methoxyphenyl)acetonitrile
PubChem CID2925826
Molecular FormulaC24H21N3O2
Molecular Weight383.45 g/mol
Exact Mass383.16
IUPAC Name2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-2-(4-hydroxy-3-methoxyphenyl)acetonitrile
SMILESCOc1cc(C(C#N)N2N=C(c3ccccc3)CC2c2ccccc2)ccc1O
InChIInChI=1S/C24H21N3O2/c1-29-24-14-19(12-13-23(24)28)22(16-25)27-21(18-10-6-3-7-11-18)15-20(26-27)17-8-4-2-5-9-17/h2-14,21-22,28H,15H2,1H3
InChIKeyLDPSJDUBOPDQBV-UHFFFAOYSA-N
XLogP4.82
TPSA68.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-(3,4-dimethoxyphenyl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)ethanone
CID 11580635
1-(5-(3,4-dimethoxyphenyl)-3-(2-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl)ethanone
CID 2954513
(4-hydroxy-3-methoxyphenyl)(3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)acetonitrile
CID 3149917
(3,4-Dimethoxyphenyl)(3,5-diphenyl-4,5-dihydro-1H-pyrazol-1-yl)acetonitrile
CID 600721
(4-Hydroxy-3-methoxyphenyl)(1-piperidinyl)acetonitrile
CID 2878002
(3,4-dimethoxyphenyl)(3-methyl-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)acetonitrile
CID 3149919
(4-methoxyphenyl)[3-(4-methoxyphenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl]acetonitrile
CID 4235926
2-methoxy-4-(5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)phenol
CID 137174990
2-methoxy-4-{(1Z)-N-[4-(4-methylbenzyl)piperazin-1-yl]ethanimidoyl}phenol
CID 135426045
5-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-1-phenyl-4,5-dihydro-1H-pyrazole
CID 3122025
1-(3-(3-hydroxyphenyl)-5-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl)ethanone
CID 16331335
1-[5-(4-Hydroxy-3-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone
CID 135908147

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-2-(4-hydroxy-3-methoxyphenyl)acetonitrile?
The IUPAC name of 2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-2-(4-hydroxy-3-methoxyphenyl)acetonitrile (CID 2925826) is 2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-2-(4-hydroxy-3-methoxyphenyl)acetonitrile.
What is the SMILES notation for 2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-2-(4-hydroxy-3-methoxyphenyl)acetonitrile?
The canonical SMILES for 2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-2-(4-hydroxy-3-methoxyphenyl)acetonitrile is COc1cc(C(C#N)N2N=C(c3ccccc3)CC2c2ccccc2)ccc1O.
What is the InChIKey of 2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-2-(4-hydroxy-3-methoxyphenyl)acetonitrile?
The InChIKey is LDPSJDUBOPDQBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O2/c1-29-24-14-19(12-13-23(24)28)22(16-25)27-21(18-10-6-3-7-11-18)15-20(26-27)17-8-4-2-5-9-17/h2-14,21-22,28H,15H2,1H3.
What are the key properties of 2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-2-(4-hydroxy-3-methoxyphenyl)acetonitrile?
2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-2-(4-hydroxy-3-methoxyphenyl)acetonitrile has a molecular weight of 383.45 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-2-(4-hydroxy-3-methoxyphenyl)acetonitrile is sourced from PubChem (CID 2925826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).