[5-ethyl-1-(2-methylphenyl)pyrazol-4-yl]methanamine

C13H17N3 — CID 66441482

IUPAC[5-ethyl-1-(2-methylphenyl)pyrazol-4-yl]methanamine
SMILESCCc1c(CN)cnn1-c1ccccc1C
InChIInChI=1S/C13H17N3/c1-3-12-11(8-14)9-15-16(12)13-7-5-4-6-10(13)2/h4-7,9H,3,8,14H2,1-2H3
InChIKeyZTUOVSNLRIAPJP-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.20
Rot. Bonds3

About [5-ethyl-1-(2-methylphenyl)pyrazol-4-yl]methanamine

[5-ethyl-1-(2-methylphenyl)pyrazol-4-yl]methanamine (PubChem CID 66441482) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is [5-ethyl-1-(2-methylphenyl)pyrazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-ethyl-1-(2-methylphenyl)pyrazol-4-yl]methanamine
PubChem CID66441482
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name[5-ethyl-1-(2-methylphenyl)pyrazol-4-yl]methanamine
SMILESCCc1c(CN)cnn1-c1ccccc1C
InChIInChI=1S/C13H17N3/c1-3-12-11(8-14)9-15-16(12)13-7-5-4-6-10(13)2/h4-7,9H,3,8,14H2,1-2H3
InChIKeyZTUOVSNLRIAPJP-UHFFFAOYSA-N
XLogP2.20
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 ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [5-ethyl-1-(2-methylphenyl)pyrazol-4-yl]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 [5-ethyl-1-(2-methylphenyl)pyrazol-4-yl]methanamine?
The IUPAC name of [5-ethyl-1-(2-methylphenyl)pyrazol-4-yl]methanamine (CID 66441482) is [5-ethyl-1-(2-methylphenyl)pyrazol-4-yl]methanamine.
What is the SMILES notation for [5-ethyl-1-(2-methylphenyl)pyrazol-4-yl]methanamine?
The canonical SMILES for [5-ethyl-1-(2-methylphenyl)pyrazol-4-yl]methanamine is CCc1c(CN)cnn1-c1ccccc1C.
What is the InChIKey of [5-ethyl-1-(2-methylphenyl)pyrazol-4-yl]methanamine?
The InChIKey is ZTUOVSNLRIAPJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-3-12-11(8-14)9-15-16(12)13-7-5-4-6-10(13)2/h4-7,9H,3,8,14H2,1-2H3.
What are the key properties of [5-ethyl-1-(2-methylphenyl)pyrazol-4-yl]methanamine?
[5-ethyl-1-(2-methylphenyl)pyrazol-4-yl]methanamine has a molecular weight of 215.30 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-ethyl-1-(2-methylphenyl)pyrazol-4-yl]methanamine is sourced from PubChem (CID 66441482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).