5,5-dimethyl-3-(2-methylprop-1-enyl)-3,4-dihydropyrazole

C9H16N2 — CID 70596934

IUPAC5,5-dimethyl-3-(2-methylprop-1-enyl)-3,4-dihydropyrazole
SMILESCC(C)=CC1CC(C)(C)N=N1
InChIInChI=1S/C9H16N2/c1-7(2)5-8-6-9(3,4)11-10-8/h5,8H,6H2,1-4H3
InChIKeyTWMCUMGEBCNFNV-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.96
Rot. Bonds1

About 5,5-dimethyl-3-(2-methylprop-1-enyl)-3,4-dihydropyrazole

5,5-dimethyl-3-(2-methylprop-1-enyl)-3,4-dihydropyrazole (PubChem CID 70596934) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 5,5-dimethyl-3-(2-methylprop-1-enyl)-3,4-dihydropyrazole.

Molecular Properties

Compound Name5,5-dimethyl-3-(2-methylprop-1-enyl)-3,4-dihydropyrazole
PubChem CID70596934
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name5,5-dimethyl-3-(2-methylprop-1-enyl)-3,4-dihydropyrazole
SMILESCC(C)=CC1CC(C)(C)N=N1
InChIInChI=1S/C9H16N2/c1-7(2)5-8-6-9(3,4)11-10-8/h5,8H,6H2,1-4H3
InChIKeyTWMCUMGEBCNFNV-UHFFFAOYSA-N
XLogP2.96
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 5,5-dimethyl-3-(2-methylprop-1-enyl)-3,4-dihydropyrazole 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-Azido-3,7-dimethylocta-1,6-diene
CID 13544478
6-Methylethylidene-4,5-diazaspiro[2,4]-hept-4-ene
CID 129773761
4-(2,2-Dimethylpropylidene)-3,3,5,5-tetramethylpyrazole
CID 12369753
4-Ethylidene-3,5-dimethyl-3,5-dihydropyrazole
CID 21719238
(4Z)-3-ethyl-4-ethylidene-3,5-dihydropyrazole
CID 123454714
(4Z)-4-ethylidene-5,5-dimethyl-3H-pyrazole
CID 21719224
6-Azido-2,6-dimethylhept-2-ene
CID 122233674
(3R,5S)-4-ethylidene-3,5-dimethyl-3,5-dihydropyrazole
CID 131857314

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-(2-methylprop-1-enyl)-3,4-dihydropyrazole?
The IUPAC name of 5,5-dimethyl-3-(2-methylprop-1-enyl)-3,4-dihydropyrazole (CID 70596934) is 5,5-dimethyl-3-(2-methylprop-1-enyl)-3,4-dihydropyrazole.
What is the SMILES notation for 5,5-dimethyl-3-(2-methylprop-1-enyl)-3,4-dihydropyrazole?
The canonical SMILES for 5,5-dimethyl-3-(2-methylprop-1-enyl)-3,4-dihydropyrazole is CC(C)=CC1CC(C)(C)N=N1.
What is the InChIKey of 5,5-dimethyl-3-(2-methylprop-1-enyl)-3,4-dihydropyrazole?
The InChIKey is TWMCUMGEBCNFNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-7(2)5-8-6-9(3,4)11-10-8/h5,8H,6H2,1-4H3.
What are the key properties of 5,5-dimethyl-3-(2-methylprop-1-enyl)-3,4-dihydropyrazole?
5,5-dimethyl-3-(2-methylprop-1-enyl)-3,4-dihydropyrazole has a molecular weight of 152.24 g/mol, XLogP of 2.96, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-(2-methylprop-1-enyl)-3,4-dihydropyrazole is sourced from PubChem (CID 70596934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).