2-(3-methylphenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine

C14H19N3 — CID 55062757

IUPAC2-(3-methylphenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine
SMILESCc1cccc(CCNCc2cn[nH]c2C)c1
InChIInChI=1S/C14H19N3/c1-11-4-3-5-13(8-11)6-7-15-9-14-10-16-17-12(14)2/h3-5,8,10,15H,6-7,9H2,1-2H3,(H,16,17)
InChIKeyKQXPHDONYQXBCV-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.36
Rot. Bonds5

About 2-(3-methylphenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine

2-(3-methylphenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine (PubChem CID 55062757) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 2-(3-methylphenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(3-methylphenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine
PubChem CID55062757
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name2-(3-methylphenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine
SMILESCc1cccc(CCNCc2cn[nH]c2C)c1
InChIInChI=1S/C14H19N3/c1-11-4-3-5-13(8-11)6-7-15-9-14-10-16-17-12(14)2/h3-5,8,10,15H,6-7,9H2,1-2H3,(H,16,17)
InChIKeyKQXPHDONYQXBCV-UHFFFAOYSA-N
XLogP2.36
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine?
The IUPAC name of 2-(3-methylphenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine (CID 55062757) is 2-(3-methylphenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine.
What is the SMILES notation for 2-(3-methylphenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine?
The canonical SMILES for 2-(3-methylphenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine is Cc1cccc(CCNCc2cn[nH]c2C)c1.
What is the InChIKey of 2-(3-methylphenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine?
The InChIKey is KQXPHDONYQXBCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-11-4-3-5-13(8-11)6-7-15-9-14-10-16-17-12(14)2/h3-5,8,10,15H,6-7,9H2,1-2H3,(H,16,17).
What are the key properties of 2-(3-methylphenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine?
2-(3-methylphenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine has a molecular weight of 229.33 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 55062757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).