1,3-di(propan-2-yl)pyrazol-5-amine

C9H17N3 — CID 12763781

IUPAC1,3-di(propan-2-yl)pyrazol-5-amine
SMILESCC(C)c1cc(N)n(C(C)C)n1
InChIInChI=1S/C9H17N3/c1-6(2)8-5-9(10)12(11-8)7(3)4/h5-7H,10H2,1-4H3
InChIKeyFBIFHDGLVAFHRY-UHFFFAOYSA-N
MW167.26 g/mol
LogP2.17
Rot. Bonds2

About 1,3-di(propan-2-yl)pyrazol-5-amine

1,3-di(propan-2-yl)pyrazol-5-amine (PubChem CID 12763781) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is 1,3-di(propan-2-yl)pyrazol-5-amine.

Molecular Properties

Compound Name1,3-di(propan-2-yl)pyrazol-5-amine
PubChem CID12763781
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name1,3-di(propan-2-yl)pyrazol-5-amine
SMILESCC(C)c1cc(N)n(C(C)C)n1
InChIInChI=1S/C9H17N3/c1-6(2)8-5-9(10)12(11-8)7(3)4/h5-7H,10H2,1-4H3
InChIKeyFBIFHDGLVAFHRY-UHFFFAOYSA-N
XLogP2.17
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1,3-di(propan-2-yl)pyrazol-5-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-di(propan-2-yl)pyrazol-5-amine?
The IUPAC name of 1,3-di(propan-2-yl)pyrazol-5-amine (CID 12763781) is 1,3-di(propan-2-yl)pyrazol-5-amine.
What is the SMILES notation for 1,3-di(propan-2-yl)pyrazol-5-amine?
The canonical SMILES for 1,3-di(propan-2-yl)pyrazol-5-amine is CC(C)c1cc(N)n(C(C)C)n1.
What is the InChIKey of 1,3-di(propan-2-yl)pyrazol-5-amine?
The InChIKey is FBIFHDGLVAFHRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-6(2)8-5-9(10)12(11-8)7(3)4/h5-7H,10H2,1-4H3.
What are the key properties of 1,3-di(propan-2-yl)pyrazol-5-amine?
1,3-di(propan-2-yl)pyrazol-5-amine has a molecular weight of 167.26 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-di(propan-2-yl)pyrazol-5-amine is sourced from PubChem (CID 12763781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).