2-(3-chloroanilino)-2-(3-ethyl-1-methylpyrazol-4-yl)acetonitrile

C14H15ClN4 — CID 112669629

IUPAC2-(3-chloroanilino)-2-(3-ethyl-1-methylpyrazol-4-yl)acetonitrile
SMILESCCc1nn(C)cc1C(C#N)Nc1cccc(Cl)c1
InChIInChI=1S/C14H15ClN4/c1-3-13-12(9-19(2)18-13)14(8-16)17-11-6-4-5-10(15)7-11/h4-7,9,14,17H,3H2,1-2H3
InChIKeyNXGSZIPIUGZPHW-UHFFFAOYSA-N
MW274.75 g/mol
LogP3.31
Rot. Bonds4

About 2-(3-chloroanilino)-2-(3-ethyl-1-methylpyrazol-4-yl)acetonitrile

2-(3-chloroanilino)-2-(3-ethyl-1-methylpyrazol-4-yl)acetonitrile (PubChem CID 112669629) has the molecular formula C14H15ClN4 and a molecular weight of 274.75 g/mol. Its IUPAC name is 2-(3-chloroanilino)-2-(3-ethyl-1-methylpyrazol-4-yl)acetonitrile.

Molecular Properties

Compound Name2-(3-chloroanilino)-2-(3-ethyl-1-methylpyrazol-4-yl)acetonitrile
PubChem CID112669629
Molecular FormulaC14H15ClN4
Molecular Weight274.75 g/mol
Exact Mass274.10
IUPAC Name2-(3-chloroanilino)-2-(3-ethyl-1-methylpyrazol-4-yl)acetonitrile
SMILESCCc1nn(C)cc1C(C#N)Nc1cccc(Cl)c1
InChIInChI=1S/C14H15ClN4/c1-3-13-12(9-19(2)18-13)14(8-16)17-11-6-4-5-10(15)7-11/h4-7,9,14,17H,3H2,1-2H3
InChIKeyNXGSZIPIUGZPHW-UHFFFAOYSA-N
XLogP3.31
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3-chloroanilino)-2-(3-ethyl-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-(3-chloroanilino)-2-(2-ethylphenyl)acetonitrile
CID 62415277
2-(3-ethyl-1-methylpyrazol-4-yl)-2-(2-methylanilino)acetonitrile
CID 112669631
2-(4-bromo-2-fluorophenyl)-2-(3-chloroanilino)acetonitrile
CID 54887298
2-(3-chloroanilino)-3-methylpentanenitrile
CID 61319933
2-(3-ethyl-1-methylpyrazol-4-yl)-2-(3-fluoroanilino)acetamide
CID 115990096
1-(3-ethyl-1-methylpyrazol-4-yl)-N-phenylethane-1,2-diamine
CID 112669491
2-(3-chloroanilino)-2-(3-hydroxyphenyl)acetonitrile
CID 54887017
2-(3-bromo-4-chloroanilino)-2-(3-ethyl-1-methylpyrazol-4-yl)ethanol
CID 115990580
2-(3-chloroanilino)-2-(3-methoxyphenyl)acetonitrile
CID 54887016
2-(3-chloroanilino)-2-(3,4-dihydroxyphenyl)acetonitrile
CID 54887295
N-(2-chlorophenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 112669529
1-(3-ethyl-1-methylpyrazol-4-yl)-N-propylprop-2-yn-1-amine
CID 102812510

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloroanilino)-2-(3-ethyl-1-methylpyrazol-4-yl)acetonitrile?
The IUPAC name of 2-(3-chloroanilino)-2-(3-ethyl-1-methylpyrazol-4-yl)acetonitrile (CID 112669629) is 2-(3-chloroanilino)-2-(3-ethyl-1-methylpyrazol-4-yl)acetonitrile.
What is the SMILES notation for 2-(3-chloroanilino)-2-(3-ethyl-1-methylpyrazol-4-yl)acetonitrile?
The canonical SMILES for 2-(3-chloroanilino)-2-(3-ethyl-1-methylpyrazol-4-yl)acetonitrile is CCc1nn(C)cc1C(C#N)Nc1cccc(Cl)c1.
What is the InChIKey of 2-(3-chloroanilino)-2-(3-ethyl-1-methylpyrazol-4-yl)acetonitrile?
The InChIKey is NXGSZIPIUGZPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4/c1-3-13-12(9-19(2)18-13)14(8-16)17-11-6-4-5-10(15)7-11/h4-7,9,14,17H,3H2,1-2H3.
What are the key properties of 2-(3-chloroanilino)-2-(3-ethyl-1-methylpyrazol-4-yl)acetonitrile?
2-(3-chloroanilino)-2-(3-ethyl-1-methylpyrazol-4-yl)acetonitrile has a molecular weight of 274.75 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloroanilino)-2-(3-ethyl-1-methylpyrazol-4-yl)acetonitrile is sourced from PubChem (CID 112669629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).