2,2-dimethyl-4-(4-methylpyrazol-1-yl)butanenitrile

C10H15N3 — CID 65256648

IUPAC2,2-dimethyl-4-(4-methylpyrazol-1-yl)butanenitrile
SMILESCc1cnn(CCC(C)(C)C#N)c1
InChIInChI=1S/C10H15N3/c1-9-6-12-13(7-9)5-4-10(2,3)8-11/h6-7H,4-5H2,1-3H3
InChIKeyUKTWOUDNDOZWEH-UHFFFAOYSA-N
MW177.25 g/mol
LogP2.13
Rot. Bonds3

About 2,2-dimethyl-4-(4-methylpyrazol-1-yl)butanenitrile

2,2-dimethyl-4-(4-methylpyrazol-1-yl)butanenitrile (PubChem CID 65256648) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is 2,2-dimethyl-4-(4-methylpyrazol-1-yl)butanenitrile.

Molecular Properties

Compound Name2,2-dimethyl-4-(4-methylpyrazol-1-yl)butanenitrile
PubChem CID65256648
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC Name2,2-dimethyl-4-(4-methylpyrazol-1-yl)butanenitrile
SMILESCc1cnn(CCC(C)(C)C#N)c1
InChIInChI=1S/C10H15N3/c1-9-6-12-13(7-9)5-4-10(2,3)8-11/h6-7H,4-5H2,1-3H3
InChIKeyUKTWOUDNDOZWEH-UHFFFAOYSA-N
XLogP2.13
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 ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

1-(3-cyano-3-methylbutyl)pyrazole-4-carboxamide
CID 81252764
2,2-dimethyl-4-(4-methylpyrazol-1-yl)butan-1-amine
CID 65246794
6-(4-bromopyrazol-1-yl)-2,2-dimethylhexanenitrile
CID 106710215
6-(4-iodopyrazol-1-yl)-2,2-dimethylhexanenitrile
CID 106710266
2-ethyl-2-(methylamino)-5-(4-methylpyrazol-1-yl)pentanenitrile
CID 106804133
2,2-dimethyl-4-(1,2,4-triazol-1-yl)butanenitrile
CID 65251808
4-(4-methylpyrazol-1-yl)-2-phenyl-2-(propan-2-ylamino)butanenitrile
CID 116692718
1-(4-cyano-4-methylpentyl)pyrazole-4-sulfonyl chloride
CID 82914187
5-[4-(4-aminophenyl)pyrazol-1-yl]-2,2-dimethylpentanenitrile
CID 65254342
2-methyl-4-(4-methylpyrazol-1-yl)-2-(propan-2-ylamino)butan-1-ol
CID 64811325
2-methyl-2-(methylamino)-5-(4-methylpyrazol-1-yl)pentan-1-ol
CID 64808818
4-(3-chloropyrazol-1-yl)-2,2-dimethylbutanenitrile
CID 130748530

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-(4-methylpyrazol-1-yl)butanenitrile?
The IUPAC name of 2,2-dimethyl-4-(4-methylpyrazol-1-yl)butanenitrile (CID 65256648) is 2,2-dimethyl-4-(4-methylpyrazol-1-yl)butanenitrile.
What is the SMILES notation for 2,2-dimethyl-4-(4-methylpyrazol-1-yl)butanenitrile?
The canonical SMILES for 2,2-dimethyl-4-(4-methylpyrazol-1-yl)butanenitrile is Cc1cnn(CCC(C)(C)C#N)c1.
What is the InChIKey of 2,2-dimethyl-4-(4-methylpyrazol-1-yl)butanenitrile?
The InChIKey is UKTWOUDNDOZWEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3/c1-9-6-12-13(7-9)5-4-10(2,3)8-11/h6-7H,4-5H2,1-3H3.
What are the key properties of 2,2-dimethyl-4-(4-methylpyrazol-1-yl)butanenitrile?
2,2-dimethyl-4-(4-methylpyrazol-1-yl)butanenitrile has a molecular weight of 177.25 g/mol, XLogP of 2.13, 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-(4-methylpyrazol-1-yl)butanenitrile is sourced from PubChem (CID 65256648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).