2-[3-(4-ethoxyphenyl)-1-methylpyrazol-4-yl]acetonitrile

C14H15N3O — CID 39097031

IUPAC2-[3-(4-ethoxyphenyl)-1-methylpyrazol-4-yl]acetonitrile
SMILESCCOc1ccc(-c2nn(C)cc2CC#N)cc1
InChIInChI=1S/C14H15N3O/c1-3-18-13-6-4-11(5-7-13)14-12(8-9-15)10-17(2)16-14/h4-7,10H,3,8H2,1-2H3
InChIKeyAOOXAQTYNZDTEF-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.55
Rot. Bonds4

About 2-[3-(4-ethoxyphenyl)-1-methylpyrazol-4-yl]acetonitrile

2-[3-(4-ethoxyphenyl)-1-methylpyrazol-4-yl]acetonitrile (PubChem CID 39097031) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-[3-(4-ethoxyphenyl)-1-methylpyrazol-4-yl]acetonitrile.

Molecular Properties

Compound Name2-[3-(4-ethoxyphenyl)-1-methylpyrazol-4-yl]acetonitrile
PubChem CID39097031
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name2-[3-(4-ethoxyphenyl)-1-methylpyrazol-4-yl]acetonitrile
SMILESCCOc1ccc(-c2nn(C)cc2CC#N)cc1
InChIInChI=1S/C14H15N3O/c1-3-18-13-6-4-11(5-7-13)14-12(8-9-15)10-17(2)16-14/h4-7,10H,3,8H2,1-2H3
InChIKeyAOOXAQTYNZDTEF-UHFFFAOYSA-N
XLogP2.55
TPSA50.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[3-(4-ethoxyphenyl)-1-methylpyrazol-4-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

2-[1-tert-butyl-3-(4-ethoxyphenyl)pyrazol-4-yl]acetonitrile
CID 39097055
4-(chloromethyl)-3-(4-ethoxyphenyl)-1-methylpyrazole
CID 39095673
4-[4-(chloromethyl)-1-methylpyrazol-3-yl]benzonitrile
CID 75480452
2-[6-(4-ethoxyphenyl)-1-methyl-2-oxo-3-pyridinyl]acetonitrile
CID 82517950
3-(4-ethoxyphenyl)-1-propan-2-ylpyrazol-4-amine
CID 83222885
[3-[4-(2-methoxyethoxy)phenyl]-1-methylpyrazol-4-yl]methanamine
CID 79485113
2-[2-(4-ethoxyphenyl)-6-fluoroimidazo[1,2-a]pyridin-3-yl]acetonitrile
CID 82060561
N,N-dimethyl-2-[4-[1-methyl-4-(methylaminomethyl)pyrazol-3-yl]phenoxy]ethanamine
CID 79490898
4-(4-ethoxyphenyl)-3-ethynyl-1-methylpyrazole
CID 166449783
5-(4-ethoxyphenyl)-3-methylimidazol-4-amine
CID 62018469
2-(3-bromo-1-methylpyrazol-4-yl)acetonitrile
CID 167727780
3-[4-[[2-(4-ethoxyphenoxy)ethylamino]methyl]-3-phenylpyrazol-1-yl]propanenitrile
CID 9114098

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-ethoxyphenyl)-1-methylpyrazol-4-yl]acetonitrile?
The IUPAC name of 2-[3-(4-ethoxyphenyl)-1-methylpyrazol-4-yl]acetonitrile (CID 39097031) is 2-[3-(4-ethoxyphenyl)-1-methylpyrazol-4-yl]acetonitrile.
What is the SMILES notation for 2-[3-(4-ethoxyphenyl)-1-methylpyrazol-4-yl]acetonitrile?
The canonical SMILES for 2-[3-(4-ethoxyphenyl)-1-methylpyrazol-4-yl]acetonitrile is CCOc1ccc(-c2nn(C)cc2CC#N)cc1.
What is the InChIKey of 2-[3-(4-ethoxyphenyl)-1-methylpyrazol-4-yl]acetonitrile?
The InChIKey is AOOXAQTYNZDTEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-3-18-13-6-4-11(5-7-13)14-12(8-9-15)10-17(2)16-14/h4-7,10H,3,8H2,1-2H3.
What are the key properties of 2-[3-(4-ethoxyphenyl)-1-methylpyrazol-4-yl]acetonitrile?
2-[3-(4-ethoxyphenyl)-1-methylpyrazol-4-yl]acetonitrile has a molecular weight of 241.29 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-ethoxyphenyl)-1-methylpyrazol-4-yl]acetonitrile is sourced from PubChem (CID 39097031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).