2-(4-methylphenyl)-1-(2-methylpyrazol-3-yl)ethanamine

C13H17N3 — CID 63963722

IUPAC2-(4-methylphenyl)-1-(2-methylpyrazol-3-yl)ethanamine
SMILESCc1ccc(CC(N)c2ccnn2C)cc1
InChIInChI=1S/C13H17N3/c1-10-3-5-11(6-4-10)9-12(14)13-7-8-15-16(13)2/h3-8,12H,9,14H2,1-2H3
InChIKeyPOKMLKWJPZZRSM-UHFFFAOYSA-N
MW215.30 g/mol
LogP1.97
Rot. Bonds3

About 2-(4-methylphenyl)-1-(2-methylpyrazol-3-yl)ethanamine

2-(4-methylphenyl)-1-(2-methylpyrazol-3-yl)ethanamine (PubChem CID 63963722) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 2-(4-methylphenyl)-1-(2-methylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound Name2-(4-methylphenyl)-1-(2-methylpyrazol-3-yl)ethanamine
PubChem CID63963722
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name2-(4-methylphenyl)-1-(2-methylpyrazol-3-yl)ethanamine
SMILESCc1ccc(CC(N)c2ccnn2C)cc1
InChIInChI=1S/C13H17N3/c1-10-3-5-11(6-4-10)9-12(14)13-7-8-15-16(13)2/h3-8,12H,9,14H2,1-2H3
InChIKeyPOKMLKWJPZZRSM-UHFFFAOYSA-N
XLogP1.97
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 ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,5-dimethylphenyl)-1-(2-methylpyrazol-3-yl)ethanamine
CID 63960986
2-(4-fluoro-2-methylphenyl)-1-(2-methylpyrazol-3-yl)ethanamine
CID 105188357
2-(2-bromophenyl)-1-(2-methylpyrazol-3-yl)ethanamine
CID 63962245
1-(2-methylpyrazol-3-yl)-3-pyridin-4-ylpropan-1-amine
CID 105148769
1-(2-ethylpyrazol-3-yl)-2-(4-fluorophenyl)ethanamine
CID 63974244
[2-(3,5-dimethylphenyl)-1-(2-methylpyrazol-3-yl)ethyl]hydrazine
CID 105212589
1-(4-methylphenyl)-2-pyridin-4-ylethanamine
CID 62550879
2-cyclohexyl-1-(2-methylpyrazol-3-yl)ethanamine
CID 115858431
4-methyl-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline
CID 106756900
(1R)-2-(4-methylphenyl)-1-pyridin-2-ylethanamine
CID 93312466
2-(5-bromo-2-methoxyphenyl)-1-(2-methylpyrazol-3-yl)ethanamine
CID 105110600
2-(3,5-dimethylphenyl)-N-methyl-1-(2-methylpyrazol-3-yl)ethanamine
CID 63960987

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-1-(2-methylpyrazol-3-yl)ethanamine?
The IUPAC name of 2-(4-methylphenyl)-1-(2-methylpyrazol-3-yl)ethanamine (CID 63963722) is 2-(4-methylphenyl)-1-(2-methylpyrazol-3-yl)ethanamine.
What is the SMILES notation for 2-(4-methylphenyl)-1-(2-methylpyrazol-3-yl)ethanamine?
The canonical SMILES for 2-(4-methylphenyl)-1-(2-methylpyrazol-3-yl)ethanamine is Cc1ccc(CC(N)c2ccnn2C)cc1.
What is the InChIKey of 2-(4-methylphenyl)-1-(2-methylpyrazol-3-yl)ethanamine?
The InChIKey is POKMLKWJPZZRSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-10-3-5-11(6-4-10)9-12(14)13-7-8-15-16(13)2/h3-8,12H,9,14H2,1-2H3.
What are the key properties of 2-(4-methylphenyl)-1-(2-methylpyrazol-3-yl)ethanamine?
2-(4-methylphenyl)-1-(2-methylpyrazol-3-yl)ethanamine has a molecular weight of 215.30 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-1-(2-methylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 63963722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).