(1-methylpyrazol-3-yl)-(4-propylphenyl)methanamine

C14H19N3 — CID 65200725

IUPAC(1-methylpyrazol-3-yl)-(4-propylphenyl)methanamine
SMILESCCCc1ccc(C(N)c2ccn(C)n2)cc1
InChIInChI=1S/C14H19N3/c1-3-4-11-5-7-12(8-6-11)14(15)13-9-10-17(2)16-13/h5-10,14H,3-4,15H2,1-2H3
InChIKeyXOUXFMYKJBZYPP-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.42
Rot. Bonds4

About (1-methylpyrazol-3-yl)-(4-propylphenyl)methanamine

(1-methylpyrazol-3-yl)-(4-propylphenyl)methanamine (PubChem CID 65200725) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is (1-methylpyrazol-3-yl)-(4-propylphenyl)methanamine.

Molecular Properties

Compound Name(1-methylpyrazol-3-yl)-(4-propylphenyl)methanamine
PubChem CID65200725
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name(1-methylpyrazol-3-yl)-(4-propylphenyl)methanamine
SMILESCCCc1ccc(C(N)c2ccn(C)n2)cc1
InChIInChI=1S/C14H19N3/c1-3-4-11-5-7-12(8-6-11)14(15)13-9-10-17(2)16-13/h5-10,14H,3-4,15H2,1-2H3
InChIKeyXOUXFMYKJBZYPP-UHFFFAOYSA-N
XLogP2.42
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1-methylpyrazol-3-yl)-(4-propylphenyl)methanamine 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-methylpyrazol-3-yl)-(4-propylphenyl)methanamine?
The IUPAC name of (1-methylpyrazol-3-yl)-(4-propylphenyl)methanamine (CID 65200725) is (1-methylpyrazol-3-yl)-(4-propylphenyl)methanamine.
What is the SMILES notation for (1-methylpyrazol-3-yl)-(4-propylphenyl)methanamine?
The canonical SMILES for (1-methylpyrazol-3-yl)-(4-propylphenyl)methanamine is CCCc1ccc(C(N)c2ccn(C)n2)cc1.
What is the InChIKey of (1-methylpyrazol-3-yl)-(4-propylphenyl)methanamine?
The InChIKey is XOUXFMYKJBZYPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-3-4-11-5-7-12(8-6-11)14(15)13-9-10-17(2)16-13/h5-10,14H,3-4,15H2,1-2H3.
What are the key properties of (1-methylpyrazol-3-yl)-(4-propylphenyl)methanamine?
(1-methylpyrazol-3-yl)-(4-propylphenyl)methanamine has a molecular weight of 229.33 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrazol-3-yl)-(4-propylphenyl)methanamine is sourced from PubChem (CID 65200725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).