2-(1-phenylpyrazol-4-yl)-2-(thiophen-2-ylmethylamino)acetonitrile

C16H14N4S — CID 61005442

IUPAC2-(1-phenylpyrazol-4-yl)-2-(thiophen-2-ylmethylamino)acetonitrile
SMILESN#CC(NCc1cccs1)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C16H14N4S/c17-9-16(18-11-15-7-4-8-21-15)13-10-19-20(12-13)14-5-2-1-3-6-14/h1-8,10,12,16,18H,11H2
InChIKeyINKHMMYSGLJFBS-UHFFFAOYSA-N
MW294.38 g/mol
LogP3.29
Rot. Bonds5

About 2-(1-phenylpyrazol-4-yl)-2-(thiophen-2-ylmethylamino)acetonitrile

2-(1-phenylpyrazol-4-yl)-2-(thiophen-2-ylmethylamino)acetonitrile (PubChem CID 61005442) has the molecular formula C16H14N4S and a molecular weight of 294.38 g/mol. Its IUPAC name is 2-(1-phenylpyrazol-4-yl)-2-(thiophen-2-ylmethylamino)acetonitrile.

Molecular Properties

Compound Name2-(1-phenylpyrazol-4-yl)-2-(thiophen-2-ylmethylamino)acetonitrile
PubChem CID61005442
Molecular FormulaC16H14N4S
Molecular Weight294.38 g/mol
Exact Mass294.09
IUPAC Name2-(1-phenylpyrazol-4-yl)-2-(thiophen-2-ylmethylamino)acetonitrile
SMILESN#CC(NCc1cccs1)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C16H14N4S/c17-9-16(18-11-15-7-4-8-21-15)13-10-19-20(12-13)14-5-2-1-3-6-14/h1-8,10,12,16,18H,11H2
InChIKeyINKHMMYSGLJFBS-UHFFFAOYSA-N
XLogP3.29
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(1-phenylpyrazol-4-yl)-2-(thiophen-2-ylmethylamino)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

1-(1-phenylpyrazol-4-yl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 65379955
1-(1-phenylpyrazol-4-yl)-3-thiophen-2-ylpropan-1-amine
CID 105150213
2-(6-methyl-3-pyridinyl)-2-(thiophen-2-ylmethylamino)acetonitrile
CID 104822436
2-(3,5-difluorophenyl)-2-(thiophen-2-ylmethylamino)acetonitrile
CID 106528833
2-(4-tert-butylphenyl)-2-(thiophen-2-ylmethylamino)acetonitrile
CID 61005238
N-[(1-phenylpyrazol-4-yl)-thiophen-2-ylmethyl]ethanamine
CID 43492518
N-[(S)-cyano-(1-phenylpyrazol-4-yl)methyl]-2-(dimethylamino)acetamide
CID 99857495
2-(2-ethylphenyl)-2-(thiophen-2-ylmethylamino)acetonitrile
CID 62415861
2-(1-methyl-2,3-dihydroindol-5-yl)-2-(thiophen-2-ylmethylamino)acetonitrile
CID 62095168
N-[(R)-cyano-(1-phenylpyrazol-4-yl)methyl]-1H-pyrrole-2-carboxamide
CID 95237324
2-[3-fluoro-5-(trifluoromethyl)phenyl]-2-(thiophen-2-ylmethylamino)acetonitrile
CID 115350886
2-[hydroxy-(1-phenylpyrazol-4-yl)methyl]pentanenitrile
CID 79412762

Frequently Asked Questions

What is the IUPAC name of 2-(1-phenylpyrazol-4-yl)-2-(thiophen-2-ylmethylamino)acetonitrile?
The IUPAC name of 2-(1-phenylpyrazol-4-yl)-2-(thiophen-2-ylmethylamino)acetonitrile (CID 61005442) is 2-(1-phenylpyrazol-4-yl)-2-(thiophen-2-ylmethylamino)acetonitrile.
What is the SMILES notation for 2-(1-phenylpyrazol-4-yl)-2-(thiophen-2-ylmethylamino)acetonitrile?
The canonical SMILES for 2-(1-phenylpyrazol-4-yl)-2-(thiophen-2-ylmethylamino)acetonitrile is N#CC(NCc1cccs1)c1cnn(-c2ccccc2)c1.
What is the InChIKey of 2-(1-phenylpyrazol-4-yl)-2-(thiophen-2-ylmethylamino)acetonitrile?
The InChIKey is INKHMMYSGLJFBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4S/c17-9-16(18-11-15-7-4-8-21-15)13-10-19-20(12-13)14-5-2-1-3-6-14/h1-8,10,12,16,18H,11H2.
What are the key properties of 2-(1-phenylpyrazol-4-yl)-2-(thiophen-2-ylmethylamino)acetonitrile?
2-(1-phenylpyrazol-4-yl)-2-(thiophen-2-ylmethylamino)acetonitrile has a molecular weight of 294.38 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenylpyrazol-4-yl)-2-(thiophen-2-ylmethylamino)acetonitrile is sourced from PubChem (CID 61005442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).