2-(2-methoxyphenyl)-2-(3,5,5-trimethyl-4H-pyrazol-1-yl)acetonitrile

C15H19N3O — CID 2990922

IUPAC2-(2-methoxyphenyl)-2-(3,5,5-trimethyl-4H-pyrazol-1-yl)acetonitrile
SMILESCOc1ccccc1C(C#N)N1N=C(C)CC1(C)C
InChIInChI=1S/C15H19N3O/c1-11-9-15(2,3)18(17-11)13(10-16)12-7-5-6-8-14(12)19-4/h5-8,13H,9H2,1-4H3
InChIKeyWKJVFQJERHONSB-UHFFFAOYSA-N
MW257.34 g/mol
LogP3.12
Rot. Bonds3

About 2-(2-methoxyphenyl)-2-(3,5,5-trimethyl-4H-pyrazol-1-yl)acetonitrile

2-(2-methoxyphenyl)-2-(3,5,5-trimethyl-4H-pyrazol-1-yl)acetonitrile (PubChem CID 2990922) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-2-(3,5,5-trimethyl-4H-pyrazol-1-yl)acetonitrile.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-2-(3,5,5-trimethyl-4H-pyrazol-1-yl)acetonitrile
PubChem CID2990922
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name2-(2-methoxyphenyl)-2-(3,5,5-trimethyl-4H-pyrazol-1-yl)acetonitrile
SMILESCOc1ccccc1C(C#N)N1N=C(C)CC1(C)C
InChIInChI=1S/C15H19N3O/c1-11-9-15(2,3)18(17-11)13(10-16)12-7-5-6-8-14(12)19-4/h5-8,13H,9H2,1-4H3
InChIKeyWKJVFQJERHONSB-UHFFFAOYSA-N
XLogP3.12
TPSA48.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(2-methoxyphenyl)-2-(3,5,5-trimethyl-4H-pyrazol-1-yl)acetonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
(4-methoxyphenyl)[3-(4-methoxyphenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl]acetonitrile
CID 4235926
(2-hydroxyphenyl)(3,5,5-trimethyl-4,5-dihydro-1H-pyrazol-1-yl)acetonitrile
CID 2925050
4-ethyl-2-(2-methoxyphenyl)-5,5-dimethyl-2,5-dihydro-1H-imidazol-1-ol
CID 2843908
(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-Hydroxy-3-methoxy-phenyl)-(3,5,5-trimethyl-4,5-dihydro-pyrazol-1-yl)-acetonitrile
CID 566372
N-formyl-5-(-2'-methoxyphenyl)-3-phenylpyrazoline (1e)
CID 84973176
(3,4-Dimethoxy-phenyl)-(3,5,5-trimethyl-4,5-dihydro-pyrazol-1-yl)-acetonitrile
CID 3149918
2-[Di(propan-2-yl)amino]-1-[3-(2-methoxyphenyl)-5-methyl-3,4-dihydropyrazol-2-yl]ethanone
CID 127032777
Diethyl-[2-[3-(2-methoxyphenyl)-5-methyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-methylazanium
CID 127033940

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-2-(3,5,5-trimethyl-4H-pyrazol-1-yl)acetonitrile?
The IUPAC name of 2-(2-methoxyphenyl)-2-(3,5,5-trimethyl-4H-pyrazol-1-yl)acetonitrile (CID 2990922) is 2-(2-methoxyphenyl)-2-(3,5,5-trimethyl-4H-pyrazol-1-yl)acetonitrile.
What is the SMILES notation for 2-(2-methoxyphenyl)-2-(3,5,5-trimethyl-4H-pyrazol-1-yl)acetonitrile?
The canonical SMILES for 2-(2-methoxyphenyl)-2-(3,5,5-trimethyl-4H-pyrazol-1-yl)acetonitrile is COc1ccccc1C(C#N)N1N=C(C)CC1(C)C.
What is the InChIKey of 2-(2-methoxyphenyl)-2-(3,5,5-trimethyl-4H-pyrazol-1-yl)acetonitrile?
The InChIKey is WKJVFQJERHONSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-11-9-15(2,3)18(17-11)13(10-16)12-7-5-6-8-14(12)19-4/h5-8,13H,9H2,1-4H3.
What are the key properties of 2-(2-methoxyphenyl)-2-(3,5,5-trimethyl-4H-pyrazol-1-yl)acetonitrile?
2-(2-methoxyphenyl)-2-(3,5,5-trimethyl-4H-pyrazol-1-yl)acetonitrile has a molecular weight of 257.34 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-2-(3,5,5-trimethyl-4H-pyrazol-1-yl)acetonitrile is sourced from PubChem (CID 2990922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).