2,2-dimethyl-4-(2-methylpyrazol-3-yl)butanenitrile

C10H15N3 — CID 103017223

IUPAC2,2-dimethyl-4-(2-methylpyrazol-3-yl)butanenitrile
SMILESCn1nccc1CCC(C)(C)C#N
InChIInChI=1S/C10H15N3/c1-10(2,8-11)6-4-9-5-7-12-13(9)3/h5,7H,4,6H2,1-3H3
InChIKeyMBGXIZYGSYXEFE-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.90
Rot. Bonds3

About 2,2-dimethyl-4-(2-methylpyrazol-3-yl)butanenitrile

2,2-dimethyl-4-(2-methylpyrazol-3-yl)butanenitrile (PubChem CID 103017223) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is 2,2-dimethyl-4-(2-methylpyrazol-3-yl)butanenitrile.

Molecular Properties

Compound Name2,2-dimethyl-4-(2-methylpyrazol-3-yl)butanenitrile
PubChem CID103017223
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC Name2,2-dimethyl-4-(2-methylpyrazol-3-yl)butanenitrile
SMILESCn1nccc1CCC(C)(C)C#N
InChIInChI=1S/C10H15N3/c1-10(2,8-11)6-4-9-5-7-12-13(9)3/h5,7H,4,6H2,1-3H3
InChIKeyMBGXIZYGSYXEFE-UHFFFAOYSA-N
XLogP1.90
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,2-dimethyl-4-(2-methylpyrazol-3-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

2-methyl-2-[4-[2-(2-methylpyrazol-3-yl)ethyl]piperazin-1-yl]propanenitrile
CID 103002528
5-[3-(bromomethyl)-3-methylpent-4-enyl]-1-methylpyrazole
CID 103018712
2-cyano-2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]propanamide
CID 104693712
5-[3-(chloromethyl)-3-methylpentyl]-1-methylpyrazole
CID 103018236
4,4-dimethyl-6-(2-methylpyrazol-3-yl)hexan-2-ol
CID 103016020
1-methoxy-2-methyl-4-(2-methylpyrazol-3-yl)butan-2-amine
CID 103007080
3-(aminomethyl)-3-methyl-5-(2-methylpyrazol-3-yl)pentan-2-ol
CID 103017437
5-[3,3-bis(chloromethyl)pentyl]-1-methylpyrazole
CID 103018946
5-[3-(4-bromophenyl)-4-chloro-3-(chloromethyl)butyl]-1-methylpyrazole
CID 103018999
N,2-dimethyl-2-[2-(2-methylpyrazol-3-yl)ethyl]pentan-1-amine
CID 103014491
2-(furan-3-yl)-4-(2-methylpyrazol-3-yl)butan-2-ol
CID 103006623
N-tert-butyl-2-ethyl-2-methyl-4-(2-methylpyrazol-3-yl)butan-1-amine
CID 103014546

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-(2-methylpyrazol-3-yl)butanenitrile?
The IUPAC name of 2,2-dimethyl-4-(2-methylpyrazol-3-yl)butanenitrile (CID 103017223) is 2,2-dimethyl-4-(2-methylpyrazol-3-yl)butanenitrile.
What is the SMILES notation for 2,2-dimethyl-4-(2-methylpyrazol-3-yl)butanenitrile?
The canonical SMILES for 2,2-dimethyl-4-(2-methylpyrazol-3-yl)butanenitrile is Cn1nccc1CCC(C)(C)C#N.
What is the InChIKey of 2,2-dimethyl-4-(2-methylpyrazol-3-yl)butanenitrile?
The InChIKey is MBGXIZYGSYXEFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3/c1-10(2,8-11)6-4-9-5-7-12-13(9)3/h5,7H,4,6H2,1-3H3.
What are the key properties of 2,2-dimethyl-4-(2-methylpyrazol-3-yl)butanenitrile?
2,2-dimethyl-4-(2-methylpyrazol-3-yl)butanenitrile has a molecular weight of 177.25 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-(2-methylpyrazol-3-yl)butanenitrile is sourced from PubChem (CID 103017223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).