1-methyl-N-(3-methylbutyl)pyrazol-3-amine

C9H17N3 — CID 60810127

IUPAC1-methyl-N-(3-methylbutyl)pyrazol-3-amine
SMILESCC(C)CCNc1ccn(C)n1
InChIInChI=1S/C9H17N3/c1-8(2)4-6-10-9-5-7-12(3)11-9/h5,7-8H,4,6H2,1-3H3,(H,10,11)
InChIKeyHEBRJLQFUYXQLL-UHFFFAOYSA-N
MW167.26 g/mol
LogP1.88
Rot. Bonds4

About 1-methyl-N-(3-methylbutyl)pyrazol-3-amine

1-methyl-N-(3-methylbutyl)pyrazol-3-amine (PubChem CID 60810127) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is 1-methyl-N-(3-methylbutyl)pyrazol-3-amine.

Molecular Properties

Compound Name1-methyl-N-(3-methylbutyl)pyrazol-3-amine
PubChem CID60810127
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name1-methyl-N-(3-methylbutyl)pyrazol-3-amine
SMILESCC(C)CCNc1ccn(C)n1
InChIInChI=1S/C9H17N3/c1-8(2)4-6-10-9-5-7-12(3)11-9/h5,7-8H,4,6H2,1-3H3,(H,10,11)
InChIKeyHEBRJLQFUYXQLL-UHFFFAOYSA-N
XLogP1.88
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-methyl-N-(3-methylbutyl)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-methyl-N-(3-methylbutyl)pyrazol-3-amine?
The IUPAC name of 1-methyl-N-(3-methylbutyl)pyrazol-3-amine (CID 60810127) is 1-methyl-N-(3-methylbutyl)pyrazol-3-amine.
What is the SMILES notation for 1-methyl-N-(3-methylbutyl)pyrazol-3-amine?
The canonical SMILES for 1-methyl-N-(3-methylbutyl)pyrazol-3-amine is CC(C)CCNc1ccn(C)n1.
What is the InChIKey of 1-methyl-N-(3-methylbutyl)pyrazol-3-amine?
The InChIKey is HEBRJLQFUYXQLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-8(2)4-6-10-9-5-7-12(3)11-9/h5,7-8H,4,6H2,1-3H3,(H,10,11).
What are the key properties of 1-methyl-N-(3-methylbutyl)pyrazol-3-amine?
1-methyl-N-(3-methylbutyl)pyrazol-3-amine has a molecular weight of 167.26 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(3-methylbutyl)pyrazol-3-amine is sourced from PubChem (CID 60810127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).