N-[(2-methylphenyl)-(1-methylpyrazol-3-yl)methyl]ethanamine

C14H19N3 — CID 65200482

IUPACN-[(2-methylphenyl)-(1-methylpyrazol-3-yl)methyl]ethanamine
SMILESCCNC(c1ccn(C)n1)c1ccccc1C
InChIInChI=1S/C14H19N3/c1-4-15-14(13-9-10-17(3)16-13)12-8-6-5-7-11(12)2/h5-10,14-15H,4H2,1-3H3
InChIKeyAEXOERVXNVOMER-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.43
Rot. Bonds4

About N-[(2-methylphenyl)-(1-methylpyrazol-3-yl)methyl]ethanamine

N-[(2-methylphenyl)-(1-methylpyrazol-3-yl)methyl]ethanamine (PubChem CID 65200482) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is N-[(2-methylphenyl)-(1-methylpyrazol-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-methylphenyl)-(1-methylpyrazol-3-yl)methyl]ethanamine
PubChem CID65200482
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC NameN-[(2-methylphenyl)-(1-methylpyrazol-3-yl)methyl]ethanamine
SMILESCCNC(c1ccn(C)n1)c1ccccc1C
InChIInChI=1S/C14H19N3/c1-4-15-14(13-9-10-17(3)16-13)12-8-6-5-7-11(12)2/h5-10,14-15H,4H2,1-3H3
InChIKeyAEXOERVXNVOMER-UHFFFAOYSA-N
XLogP2.43
TPSA29.85 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 ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2-methylphenyl)-(1-methylpyrazol-3-yl)methyl]ethanamine 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 N-[(2-methylphenyl)-(1-methylpyrazol-3-yl)methyl]ethanamine?
The IUPAC name of N-[(2-methylphenyl)-(1-methylpyrazol-3-yl)methyl]ethanamine (CID 65200482) is N-[(2-methylphenyl)-(1-methylpyrazol-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2-methylphenyl)-(1-methylpyrazol-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(2-methylphenyl)-(1-methylpyrazol-3-yl)methyl]ethanamine is CCNC(c1ccn(C)n1)c1ccccc1C.
What is the InChIKey of N-[(2-methylphenyl)-(1-methylpyrazol-3-yl)methyl]ethanamine?
The InChIKey is AEXOERVXNVOMER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-4-15-14(13-9-10-17(3)16-13)12-8-6-5-7-11(12)2/h5-10,14-15H,4H2,1-3H3.
What are the key properties of N-[(2-methylphenyl)-(1-methylpyrazol-3-yl)methyl]ethanamine?
N-[(2-methylphenyl)-(1-methylpyrazol-3-yl)methyl]ethanamine has a molecular weight of 229.33 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylphenyl)-(1-methylpyrazol-3-yl)methyl]ethanamine is sourced from PubChem (CID 65200482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).