2-(3,5-dimethylphenyl)-1-(2-methylpyrazol-3-yl)ethanamine

C14H19N3 — CID 63960986

IUPAC2-(3,5-dimethylphenyl)-1-(2-methylpyrazol-3-yl)ethanamine
SMILESCc1cc(C)cc(CC(N)c2ccnn2C)c1
InChIInChI=1S/C14H19N3/c1-10-6-11(2)8-12(7-10)9-13(15)14-4-5-16-17(14)3/h4-8,13H,9,15H2,1-3H3
InChIKeyXEVQRGDSIQOATC-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.28
Rot. Bonds3

About 2-(3,5-dimethylphenyl)-1-(2-methylpyrazol-3-yl)ethanamine

2-(3,5-dimethylphenyl)-1-(2-methylpyrazol-3-yl)ethanamine (PubChem CID 63960986) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 2-(3,5-dimethylphenyl)-1-(2-methylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound Name2-(3,5-dimethylphenyl)-1-(2-methylpyrazol-3-yl)ethanamine
PubChem CID63960986
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name2-(3,5-dimethylphenyl)-1-(2-methylpyrazol-3-yl)ethanamine
SMILESCc1cc(C)cc(CC(N)c2ccnn2C)c1
InChIInChI=1S/C14H19N3/c1-10-6-11(2)8-12(7-10)9-13(15)14-4-5-16-17(14)3/h4-8,13H,9,15H2,1-3H3
InChIKeyXEVQRGDSIQOATC-UHFFFAOYSA-N
XLogP2.28
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methylphenyl)-1-(2-methylpyrazol-3-yl)ethanamine
CID 63963722
[2-(3,5-dimethylphenyl)-1-(2-methylpyrazol-3-yl)ethyl]hydrazine
CID 105212589
2-(3,5-dimethylphenyl)-N-methyl-1-(2-methylpyrazol-3-yl)ethanamine
CID 63960987
2-(4-fluoro-2-methylphenyl)-1-(2-methylpyrazol-3-yl)ethanamine
CID 105188357
2-(3,5-dimethylphenyl)-1-pyridin-4-ylethanamine
CID 54911208
2-(2-bromophenyl)-1-(2-methylpyrazol-3-yl)ethanamine
CID 63962245
(3,5-dimethylphenyl)-(2-methylpyrazol-3-yl)methanol
CID 63960732
1-(2-methylpyrazol-3-yl)-3-pyridin-4-ylpropan-1-amine
CID 105148769
1,2-bis(3,5-dimethylphenyl)ethanamine
CID 55096005
2-(5-bromo-2-methoxyphenyl)-1-(2-methylpyrazol-3-yl)ethanamine
CID 105110600
2-(3,5-difluorophenyl)-1-(2-propylpyrazol-3-yl)ethanamine
CID 63977023
(2-methylcyclopropyl)-(2-methylpyrazol-3-yl)methanamine
CID 65422135

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenyl)-1-(2-methylpyrazol-3-yl)ethanamine?
The IUPAC name of 2-(3,5-dimethylphenyl)-1-(2-methylpyrazol-3-yl)ethanamine (CID 63960986) is 2-(3,5-dimethylphenyl)-1-(2-methylpyrazol-3-yl)ethanamine.
What is the SMILES notation for 2-(3,5-dimethylphenyl)-1-(2-methylpyrazol-3-yl)ethanamine?
The canonical SMILES for 2-(3,5-dimethylphenyl)-1-(2-methylpyrazol-3-yl)ethanamine is Cc1cc(C)cc(CC(N)c2ccnn2C)c1.
What is the InChIKey of 2-(3,5-dimethylphenyl)-1-(2-methylpyrazol-3-yl)ethanamine?
The InChIKey is XEVQRGDSIQOATC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-10-6-11(2)8-12(7-10)9-13(15)14-4-5-16-17(14)3/h4-8,13H,9,15H2,1-3H3.
What are the key properties of 2-(3,5-dimethylphenyl)-1-(2-methylpyrazol-3-yl)ethanamine?
2-(3,5-dimethylphenyl)-1-(2-methylpyrazol-3-yl)ethanamine has a molecular weight of 229.33 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenyl)-1-(2-methylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 63960986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).