1-(3,4-dimethylpent-3-enyl)pyrazol-3-amine

C10H17N3 — CID 165472300

IUPAC1-(3,4-dimethylpent-3-enyl)pyrazol-3-amine
SMILESCC(C)=C(C)CCn1ccc(N)n1
InChIInChI=1S/C10H17N3/c1-8(2)9(3)4-6-13-7-5-10(11)12-13/h5,7H,4,6H2,1-3H3,(H2,11,12)
InChIKeyNAZIAOAMMBNMHW-UHFFFAOYSA-N
MW179.27 g/mol
LogP2.21
Rot. Bonds3

About 1-(3,4-dimethylpent-3-enyl)pyrazol-3-amine

1-(3,4-dimethylpent-3-enyl)pyrazol-3-amine (PubChem CID 165472300) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 1-(3,4-dimethylpent-3-enyl)pyrazol-3-amine.

Molecular Properties

Compound Name1-(3,4-dimethylpent-3-enyl)pyrazol-3-amine
PubChem CID165472300
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name1-(3,4-dimethylpent-3-enyl)pyrazol-3-amine
SMILESCC(C)=C(C)CCn1ccc(N)n1
InChIInChI=1S/C10H17N3/c1-8(2)9(3)4-6-13-7-5-10(11)12-13/h5,7H,4,6H2,1-3H3,(H2,11,12)
InChIKeyNAZIAOAMMBNMHW-UHFFFAOYSA-N
XLogP2.21
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(3,4-dimethylpent-3-enyl)pyrazol-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylpent-3-enyl)pyrazol-3-amine?
The IUPAC name of 1-(3,4-dimethylpent-3-enyl)pyrazol-3-amine (CID 165472300) is 1-(3,4-dimethylpent-3-enyl)pyrazol-3-amine.
What is the SMILES notation for 1-(3,4-dimethylpent-3-enyl)pyrazol-3-amine?
The canonical SMILES for 1-(3,4-dimethylpent-3-enyl)pyrazol-3-amine is CC(C)=C(C)CCn1ccc(N)n1.
What is the InChIKey of 1-(3,4-dimethylpent-3-enyl)pyrazol-3-amine?
The InChIKey is NAZIAOAMMBNMHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-8(2)9(3)4-6-13-7-5-10(11)12-13/h5,7H,4,6H2,1-3H3,(H2,11,12).
What are the key properties of 1-(3,4-dimethylpent-3-enyl)pyrazol-3-amine?
1-(3,4-dimethylpent-3-enyl)pyrazol-3-amine has a molecular weight of 179.27 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylpent-3-enyl)pyrazol-3-amine is sourced from PubChem (CID 165472300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).