2-amino-4-(3,5-dimethylpyrazol-1-yl)butanenitrile

C9H14N4 — CID 63029530

IUPAC2-amino-4-(3,5-dimethylpyrazol-1-yl)butanenitrile
SMILESCc1cc(C)n(CCC(N)C#N)n1
InChIInChI=1S/C9H14N4/c1-7-5-8(2)13(12-7)4-3-9(11)6-10/h5,9H,3-4,11H2,1-2H3
InChIKeyDSFRGAZAOWUZRJ-UHFFFAOYSA-N
MW178.24 g/mol
LogP0.74
Rot. Bonds3

About 2-amino-4-(3,5-dimethylpyrazol-1-yl)butanenitrile

2-amino-4-(3,5-dimethylpyrazol-1-yl)butanenitrile (PubChem CID 63029530) has the molecular formula C9H14N4 and a molecular weight of 178.24 g/mol. Its IUPAC name is 2-amino-4-(3,5-dimethylpyrazol-1-yl)butanenitrile.

Molecular Properties

Compound Name2-amino-4-(3,5-dimethylpyrazol-1-yl)butanenitrile
PubChem CID63029530
Molecular FormulaC9H14N4
Molecular Weight178.24 g/mol
Exact Mass178.12
IUPAC Name2-amino-4-(3,5-dimethylpyrazol-1-yl)butanenitrile
SMILESCc1cc(C)n(CCC(N)C#N)n1
InChIInChI=1S/C9H14N4/c1-7-5-8(2)13(12-7)4-3-9(11)6-10/h5,9H,3-4,11H2,1-2H3
InChIKeyDSFRGAZAOWUZRJ-UHFFFAOYSA-N
XLogP0.74
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-amino-4-(3,5-dimethylpyrazol-1-yl)butanenitrile 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

3,5-dimethyl-1-(3-methylbutyl)pyrazole
CID 59748002
1-(3-bromo-3-chloropropyl)-3,5-dimethylpyrazole
CID 57143513
(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pentanedinitrile
CID 99833474
3-[3-(3,5-dimethylpyrazol-1-yl)propylamino]propanenitrile
CID 115571469
3-(3,5-dimethylpyrazol-1-yl)-2-phenylpropanenitrile
CID 64535776
2-[2-(3,5-dimethylpyrazol-1-yl)ethylsulfanyl]ethanol
CID 12074287
1-ethyl-3,5-dimethylpyrazole
CID 565993
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]hydroxylamine
CID 122626197
1-cyclopropyl-2-(3,5-dimethylpyrazol-1-yl)ethanamine
CID 63913503
1,3-bis[2-(3,5-dimethylpyrazol-1-yl)ethylsulfanyl]propan-2-ol
CID 15763415
3,5-dimethyl-1-(2-methylsulfonylethyl)pyrazole
CID 63810790
1-(6-chlorohexyl)-3,5-dimethylpyrazole
CID 62227990

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3,5-dimethylpyrazol-1-yl)butanenitrile?
The IUPAC name of 2-amino-4-(3,5-dimethylpyrazol-1-yl)butanenitrile (CID 63029530) is 2-amino-4-(3,5-dimethylpyrazol-1-yl)butanenitrile.
What is the SMILES notation for 2-amino-4-(3,5-dimethylpyrazol-1-yl)butanenitrile?
The canonical SMILES for 2-amino-4-(3,5-dimethylpyrazol-1-yl)butanenitrile is Cc1cc(C)n(CCC(N)C#N)n1.
What is the InChIKey of 2-amino-4-(3,5-dimethylpyrazol-1-yl)butanenitrile?
The InChIKey is DSFRGAZAOWUZRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4/c1-7-5-8(2)13(12-7)4-3-9(11)6-10/h5,9H,3-4,11H2,1-2H3.
What are the key properties of 2-amino-4-(3,5-dimethylpyrazol-1-yl)butanenitrile?
2-amino-4-(3,5-dimethylpyrazol-1-yl)butanenitrile has a molecular weight of 178.24 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3,5-dimethylpyrazol-1-yl)butanenitrile is sourced from PubChem (CID 63029530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).