5-(4-methylphenyl)-1-propylpyrazol-3-amine

C13H17N3 — CID 67610637

IUPAC5-(4-methylphenyl)-1-propylpyrazol-3-amine
SMILESCCCn1nc(N)cc1-c1ccc(C)cc1
InChIInChI=1S/C13H17N3/c1-3-8-16-12(9-13(14)15-16)11-6-4-10(2)5-7-11/h4-7,9H,3,8H2,1-2H3,(H2,14,15)
InChIKeyKKHJNNGQWNSKJP-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.85
Rot. Bonds3

About 5-(4-methylphenyl)-1-propylpyrazol-3-amine

5-(4-methylphenyl)-1-propylpyrazol-3-amine (PubChem CID 67610637) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 5-(4-methylphenyl)-1-propylpyrazol-3-amine.

Molecular Properties

Compound Name5-(4-methylphenyl)-1-propylpyrazol-3-amine
PubChem CID67610637
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name5-(4-methylphenyl)-1-propylpyrazol-3-amine
SMILESCCCn1nc(N)cc1-c1ccc(C)cc1
InChIInChI=1S/C13H17N3/c1-3-8-16-12(9-13(14)15-16)11-6-4-10(2)5-7-11/h4-7,9H,3,8H2,1-2H3,(H2,14,15)
InChIKeyKKHJNNGQWNSKJP-UHFFFAOYSA-N
XLogP2.85
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(4-methylphenyl)-1-propylpyrazol-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 5-(4-methylphenyl)-1-propylpyrazol-3-amine?
The IUPAC name of 5-(4-methylphenyl)-1-propylpyrazol-3-amine (CID 67610637) is 5-(4-methylphenyl)-1-propylpyrazol-3-amine.
What is the SMILES notation for 5-(4-methylphenyl)-1-propylpyrazol-3-amine?
The canonical SMILES for 5-(4-methylphenyl)-1-propylpyrazol-3-amine is CCCn1nc(N)cc1-c1ccc(C)cc1.
What is the InChIKey of 5-(4-methylphenyl)-1-propylpyrazol-3-amine?
The InChIKey is KKHJNNGQWNSKJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-3-8-16-12(9-13(14)15-16)11-6-4-10(2)5-7-11/h4-7,9H,3,8H2,1-2H3,(H2,14,15).
What are the key properties of 5-(4-methylphenyl)-1-propylpyrazol-3-amine?
5-(4-methylphenyl)-1-propylpyrazol-3-amine has a molecular weight of 215.30 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-1-propylpyrazol-3-amine is sourced from PubChem (CID 67610637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).