3,3-dimethyl-5-(2-methylprop-1-enyl)pyrazole

C9H14N2 — CID 70595726

IUPAC3,3-dimethyl-5-(2-methylprop-1-enyl)pyrazole
SMILESCC(C)=CC1=CC(C)(C)N=N1
InChIInChI=1S/C9H14N2/c1-7(2)5-8-6-9(3,4)11-10-8/h5-6H,1-4H3
InChIKeyUEZATVNZFNVXPC-UHFFFAOYSA-N
MW150.22 g/mol
LogP3.08
Rot. Bonds1

About 3,3-dimethyl-5-(2-methylprop-1-enyl)pyrazole

3,3-dimethyl-5-(2-methylprop-1-enyl)pyrazole (PubChem CID 70595726) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 3,3-dimethyl-5-(2-methylprop-1-enyl)pyrazole.

Molecular Properties

Compound Name3,3-dimethyl-5-(2-methylprop-1-enyl)pyrazole
PubChem CID70595726
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name3,3-dimethyl-5-(2-methylprop-1-enyl)pyrazole
SMILESCC(C)=CC1=CC(C)(C)N=N1
InChIInChI=1S/C9H14N2/c1-7(2)5-8-6-9(3,4)11-10-8/h5-6H,1-4H3
InChIKeyUEZATVNZFNVXPC-UHFFFAOYSA-N
XLogP3.08
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3,3-dimethyl-5-(2-methylprop-1-enyl)pyrazole 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

CID 21719771
CID 21719771
CID 118543999
CID 118543999
CID 15619251
CID 15619251
CID 15619252
CID 15619252
CID 129852918
CID 129852918
CID 134861620
CID 134861620
CID 22590308
CID 22590308
CID 57259895
CID 57259895
CID 58002896
CID 58002896
CID 89278503
CID 89278503
CID 89301366
CID 89301366
CID 89590215
CID 89590215

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-5-(2-methylprop-1-enyl)pyrazole?
The IUPAC name of 3,3-dimethyl-5-(2-methylprop-1-enyl)pyrazole (CID 70595726) is 3,3-dimethyl-5-(2-methylprop-1-enyl)pyrazole.
What is the SMILES notation for 3,3-dimethyl-5-(2-methylprop-1-enyl)pyrazole?
The canonical SMILES for 3,3-dimethyl-5-(2-methylprop-1-enyl)pyrazole is CC(C)=CC1=CC(C)(C)N=N1.
What is the InChIKey of 3,3-dimethyl-5-(2-methylprop-1-enyl)pyrazole?
The InChIKey is UEZATVNZFNVXPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-7(2)5-8-6-9(3,4)11-10-8/h5-6H,1-4H3.
What are the key properties of 3,3-dimethyl-5-(2-methylprop-1-enyl)pyrazole?
3,3-dimethyl-5-(2-methylprop-1-enyl)pyrazole has a molecular weight of 150.22 g/mol, XLogP of 3.08, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-5-(2-methylprop-1-enyl)pyrazole is sourced from PubChem (CID 70595726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).