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

C19H19N3O — CID 589636

IUPAC2-(4-methoxyphenyl)-2-(5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl)acetonitrile
SMILESCOc1ccc(C(C#N)N2N=C(C)CC2c2ccccc2)cc1
InChIInChI=1S/C19H19N3O/c1-14-12-18(15-6-4-3-5-7-15)22(21-14)19(13-20)16-8-10-17(23-2)11-9-16/h3-11,18-19H,12H2,1-2H3
InChIKeyLBZWNGQNGDATNH-UHFFFAOYSA-N
MW305.38 g/mol
LogP4.08
Rot. Bonds4

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

2-(4-methoxyphenyl)-2-(5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl)acetonitrile (PubChem CID 589636) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-2-(5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl)acetonitrile.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-2-(5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl)acetonitrile
PubChem CID589636
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC Name2-(4-methoxyphenyl)-2-(5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl)acetonitrile
SMILESCOc1ccc(C(C#N)N2N=C(C)CC2c2ccccc2)cc1
InChIInChI=1S/C19H19N3O/c1-14-12-18(15-6-4-3-5-7-15)22(21-14)19(13-20)16-8-10-17(23-2)11-9-16/h3-11,18-19H,12H2,1-2H3
InChIKeyLBZWNGQNGDATNH-UHFFFAOYSA-N
XLogP4.08
TPSA48.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-Methoxyphenyl)(3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)acetonitrile
CID 589746
N-formyl-5-(-4'-methoxyphenyl)-3-phenylpyrazoline (1g)
CID 12671426
(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
(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
1-[5-(4-Methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone
CID 2879720
1-[5-Methyl-3-(4-phenylmethoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone
CID 3365556
alpha-Amylase-IN-1
CID 135495099
(4-Methoxy-phenyl)-(3,5,5-trimethyl-4,5-dihydro-pyrazol-1-yl)-acetonitrile
CID 589767
(2-methoxyphenyl)(3-methyl-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)acetonitrile
CID 2989842
2-(3,4-dimethoxyphenyl)-2-(3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)acetonitrile
CID 3142658

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-2-(5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl)acetonitrile?
The IUPAC name of 2-(4-methoxyphenyl)-2-(5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl)acetonitrile (CID 589636) is 2-(4-methoxyphenyl)-2-(5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl)acetonitrile.
What is the SMILES notation for 2-(4-methoxyphenyl)-2-(5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl)acetonitrile?
The canonical SMILES for 2-(4-methoxyphenyl)-2-(5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl)acetonitrile is COc1ccc(C(C#N)N2N=C(C)CC2c2ccccc2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-2-(5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl)acetonitrile?
The InChIKey is LBZWNGQNGDATNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O/c1-14-12-18(15-6-4-3-5-7-15)22(21-14)19(13-20)16-8-10-17(23-2)11-9-16/h3-11,18-19H,12H2,1-2H3.
What are the key properties of 2-(4-methoxyphenyl)-2-(5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl)acetonitrile?
2-(4-methoxyphenyl)-2-(5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl)acetonitrile has a molecular weight of 305.38 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-2-(5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl)acetonitrile is sourced from PubChem (CID 589636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).