2-propan-2-ylpyrazol-3-amine

C6H11N3 — CID 1090341

IUPAC2-propan-2-ylpyrazol-3-amine
SMILESCC(C)n1nccc1N
InChIInChI=1S/C6H11N3/c1-5(2)9-6(7)3-4-8-9/h3-5H,7H2,1-2H3
InChIKeyAHRQLLLOCPXPCS-UHFFFAOYSA-N
MW125.17 g/mol
LogP1.05
Rot. Bonds1

About 2-propan-2-ylpyrazol-3-amine

2-propan-2-ylpyrazol-3-amine (PubChem CID 1090341) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is 2-propan-2-ylpyrazol-3-amine.

Molecular Properties

Compound Name2-propan-2-ylpyrazol-3-amine
PubChem CID1090341
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC Name2-propan-2-ylpyrazol-3-amine
SMILESCC(C)n1nccc1N
InChIInChI=1S/C6H11N3/c1-5(2)9-6(7)3-4-8-9/h3-5H,7H2,1-2H3
InChIKeyAHRQLLLOCPXPCS-UHFFFAOYSA-N
XLogP1.05
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-propan-2-ylpyrazol-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 2-propan-2-ylpyrazol-3-amine?
The IUPAC name of 2-propan-2-ylpyrazol-3-amine (CID 1090341) is 2-propan-2-ylpyrazol-3-amine.
What is the SMILES notation for 2-propan-2-ylpyrazol-3-amine?
The canonical SMILES for 2-propan-2-ylpyrazol-3-amine is CC(C)n1nccc1N.
What is the InChIKey of 2-propan-2-ylpyrazol-3-amine?
The InChIKey is AHRQLLLOCPXPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3/c1-5(2)9-6(7)3-4-8-9/h3-5H,7H2,1-2H3.
What are the key properties of 2-propan-2-ylpyrazol-3-amine?
2-propan-2-ylpyrazol-3-amine has a molecular weight of 125.17 g/mol, XLogP of 1.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-ylpyrazol-3-amine is sourced from PubChem (CID 1090341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).