2-(3,4-dimethoxyphenyl)-2-(5-phenyl-3,4-dihydropyrazol-2-yl)acetonitrile

C19H19N3O2 — CID 3142658

IUPAC2-(3,4-dimethoxyphenyl)-2-(5-phenyl-3,4-dihydropyrazol-2-yl)acetonitrile
SMILESCOc1ccc(C(C#N)N2CCC(c3ccccc3)=N2)cc1OC
InChIInChI=1S/C19H19N3O2/c1-23-18-9-8-15(12-19(18)24-2)17(13-20)22-11-10-16(21-22)14-6-4-3-5-7-14/h3-9,12,17H,10-11H2,1-2H3
InChIKeyOGMZXAXZDKRYNZ-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.38
Rot. Bonds5

About 2-(3,4-dimethoxyphenyl)-2-(5-phenyl-3,4-dihydropyrazol-2-yl)acetonitrile

2-(3,4-dimethoxyphenyl)-2-(5-phenyl-3,4-dihydropyrazol-2-yl)acetonitrile (PubChem CID 3142658) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-2-(5-phenyl-3,4-dihydropyrazol-2-yl)acetonitrile.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-2-(5-phenyl-3,4-dihydropyrazol-2-yl)acetonitrile
PubChem CID3142658
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name2-(3,4-dimethoxyphenyl)-2-(5-phenyl-3,4-dihydropyrazol-2-yl)acetonitrile
SMILESCOc1ccc(C(C#N)N2CCC(c3ccccc3)=N2)cc1OC
InChIInChI=1S/C19H19N3O2/c1-23-18-9-8-15(12-19(18)24-2)17(13-20)22-11-10-16(21-22)14-6-4-3-5-7-14/h3-9,12,17H,10-11H2,1-2H3
InChIKeyOGMZXAXZDKRYNZ-UHFFFAOYSA-N
XLogP3.38
TPSA57.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-Methoxyphenyl)(3-methyl-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)acetonitrile
CID 589636
(4-Methoxyphenyl)(3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)acetonitrile
CID 589746
3-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-1-(methylsulfonyl)-4,5-dihydro-1H-pyrazole
CID 4562967
alpha-(3,4-Dimethoxyphenyl)-N,N-dimethylbenzenebutanamine
CID 111122
1-(5-(3,4-dimethoxyphenyl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)ethanone
CID 11580635
N-formyl-5-(-4'-methoxyphenyl)-3-phenylpyrazoline (1g)
CID 12671426
1-(5-(3,4-dimethoxyphenyl)-3-(2-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl)ethanone
CID 2954513
3-(3,4-Dimethoxyphenyl)-5-(4-fluorophenyl)-2-phenyl-3,4-dihydropyrazole
CID 2883145
(4-hydroxy-3-methoxyphenyl)(3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)acetonitrile
CID 3149917
1-acetyl-5-(1,3-benzodioxol-5-yl)-3-phenyl-4,5-dihydro-1H-pyrazole
CID 4246984
(3,4-Dimethoxyphenyl)(3,5-diphenyl-4,5-dihydro-1H-pyrazol-1-yl)acetonitrile
CID 600721
(3,4-dimethoxyphenyl)(3-methyl-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)acetonitrile
CID 3149919

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-2-(5-phenyl-3,4-dihydropyrazol-2-yl)acetonitrile?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-2-(5-phenyl-3,4-dihydropyrazol-2-yl)acetonitrile (CID 3142658) is 2-(3,4-dimethoxyphenyl)-2-(5-phenyl-3,4-dihydropyrazol-2-yl)acetonitrile.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-2-(5-phenyl-3,4-dihydropyrazol-2-yl)acetonitrile?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-2-(5-phenyl-3,4-dihydropyrazol-2-yl)acetonitrile is COc1ccc(C(C#N)N2CCC(c3ccccc3)=N2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-2-(5-phenyl-3,4-dihydropyrazol-2-yl)acetonitrile?
The InChIKey is OGMZXAXZDKRYNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-23-18-9-8-15(12-19(18)24-2)17(13-20)22-11-10-16(21-22)14-6-4-3-5-7-14/h3-9,12,17H,10-11H2,1-2H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-2-(5-phenyl-3,4-dihydropyrazol-2-yl)acetonitrile?
2-(3,4-dimethoxyphenyl)-2-(5-phenyl-3,4-dihydropyrazol-2-yl)acetonitrile has a molecular weight of 321.38 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-2-(5-phenyl-3,4-dihydropyrazol-2-yl)acetonitrile is sourced from PubChem (CID 3142658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).