3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine

C9H17N3 — CID 6492154

IUPAC3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
SMILESCc1nn(C)c(C)c1CCCN
InChIInChI=1S/C9H17N3/c1-7-9(5-4-6-10)8(2)12(3)11-7/h4-6,10H2,1-3H3
InChIKeyYOGPVQTVMDIBCK-UHFFFAOYSA-N
MW167.26 g/mol
LogP0.93
Rot. Bonds3

About 3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine

3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine (PubChem CID 6492154) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is 3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine.

Molecular Properties

Compound Name3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
PubChem CID6492154
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
SMILESCc1nn(C)c(C)c1CCCN
InChIInChI=1S/C9H17N3/c1-7-9(5-4-6-10)8(2)12(3)11-7/h4-6,10H2,1-3H3
InChIKeyYOGPVQTVMDIBCK-UHFFFAOYSA-N
XLogP0.93
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(1,3,5-trimethylpyrazol-4-yl)propan-1-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 3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine?
The IUPAC name of 3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine (CID 6492154) is 3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine.
What is the SMILES notation for 3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine?
The canonical SMILES for 3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine is Cc1nn(C)c(C)c1CCCN.
What is the InChIKey of 3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine?
The InChIKey is YOGPVQTVMDIBCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-7-9(5-4-6-10)8(2)12(3)11-7/h4-6,10H2,1-3H3.
What are the key properties of 3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine?
3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine has a molecular weight of 167.26 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine is sourced from PubChem (CID 6492154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).