2-amino-2-(1-benzylpyrazol-4-yl)acetonitrile

C12H12N4 — CID 130847177

IUPAC2-amino-2-(1-benzylpyrazol-4-yl)acetonitrile
SMILESN#CC(N)c1cnn(Cc2ccccc2)c1
InChIInChI=1S/C12H12N4/c13-6-12(14)11-7-15-16(9-11)8-10-4-2-1-3-5-10/h1-5,7,9,12H,8,14H2
InChIKeyIZTMHCLRLDEPIR-UHFFFAOYSA-N
MW212.26 g/mol
LogP1.45
Rot. Bonds3

About 2-amino-2-(1-benzylpyrazol-4-yl)acetonitrile

2-amino-2-(1-benzylpyrazol-4-yl)acetonitrile (PubChem CID 130847177) has the molecular formula C12H12N4 and a molecular weight of 212.26 g/mol. Its IUPAC name is 2-amino-2-(1-benzylpyrazol-4-yl)acetonitrile.

Molecular Properties

Compound Name2-amino-2-(1-benzylpyrazol-4-yl)acetonitrile
PubChem CID130847177
Molecular FormulaC12H12N4
Molecular Weight212.26 g/mol
Exact Mass212.11
IUPAC Name2-amino-2-(1-benzylpyrazol-4-yl)acetonitrile
SMILESN#CC(N)c1cnn(Cc2ccccc2)c1
InChIInChI=1S/C12H12N4/c13-6-12(14)11-7-15-16(9-11)8-10-4-2-1-3-5-10/h1-5,7,9,12H,8,14H2
InChIKeyIZTMHCLRLDEPIR-UHFFFAOYSA-N
XLogP1.45
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.26
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-amino-2-(1-benzylpyrazol-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-benzylpyrazol-4-yl)-3-methylbutan-1-amine
CID 83899641
(1-benzylpyrazol-4-yl)methylhydrazine
CID 130820345
ethyl 2-amino-3-(1-benzylpyrazol-4-yl)propanoate
CID 83440945
6-[1-(1-benzylpyrazol-4-yl)ethylamino]-3-chloropyridine-2-carbonitrile
CID 133416856
1-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]propan-1-amine
CID 62729897
1-(1-benzylpyrazol-4-yl)-2-nitropropan-1-ol
CID 139343471
ethyl 2-amino-3-(1-benzylpyrazol-4-yl)propanoate;dihydrochloride
CID 132585364
N'-(1-benzylpyrazol-4-yl)ethanimidamide
CID 131165771
2-(1-benzylpyrazol-4-yl)aniline
CID 63338467
2-amino-N-[1-(1-benzylpyrazol-4-yl)ethyl]-3-methoxypropanamide;hydrochloride
CID 120993484
N-[1-(1-benzylpyrazol-4-yl)ethyl]-4-ethylpiperazine-1-carboxamide
CID 75390241
N-[1-(1-benzylpyrazol-4-yl)ethyl]-6-methylpyrimidin-4-amine
CID 133416847

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(1-benzylpyrazol-4-yl)acetonitrile?
The IUPAC name of 2-amino-2-(1-benzylpyrazol-4-yl)acetonitrile (CID 130847177) is 2-amino-2-(1-benzylpyrazol-4-yl)acetonitrile.
What is the SMILES notation for 2-amino-2-(1-benzylpyrazol-4-yl)acetonitrile?
The canonical SMILES for 2-amino-2-(1-benzylpyrazol-4-yl)acetonitrile is N#CC(N)c1cnn(Cc2ccccc2)c1.
What is the InChIKey of 2-amino-2-(1-benzylpyrazol-4-yl)acetonitrile?
The InChIKey is IZTMHCLRLDEPIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4/c13-6-12(14)11-7-15-16(9-11)8-10-4-2-1-3-5-10/h1-5,7,9,12H,8,14H2.
What are the key properties of 2-amino-2-(1-benzylpyrazol-4-yl)acetonitrile?
2-amino-2-(1-benzylpyrazol-4-yl)acetonitrile has a molecular weight of 212.26 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(1-benzylpyrazol-4-yl)acetonitrile is sourced from PubChem (CID 130847177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).