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

C13H17N3 — CID 62125918

IUPAC1-(4-methylphenyl)-2-(1-methylpyrazol-4-yl)ethanamine
SMILESCc1ccc(C(N)Cc2cnn(C)c2)cc1
InChIInChI=1S/C13H17N3/c1-10-3-5-12(6-4-10)13(14)7-11-8-15-16(2)9-11/h3-6,8-9,13H,7,14H2,1-2H3
InChIKeyVPUOHIJEVVECBU-UHFFFAOYSA-N
MW215.30 g/mol
LogP1.97
Rot. Bonds3

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

1-(4-methylphenyl)-2-(1-methylpyrazol-4-yl)ethanamine (PubChem CID 62125918) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 1-(4-methylphenyl)-2-(1-methylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound Name1-(4-methylphenyl)-2-(1-methylpyrazol-4-yl)ethanamine
PubChem CID62125918
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name1-(4-methylphenyl)-2-(1-methylpyrazol-4-yl)ethanamine
SMILESCc1ccc(C(N)Cc2cnn(C)c2)cc1
InChIInChI=1S/C13H17N3/c1-10-3-5-12(6-4-10)13(14)7-11-8-15-16(2)9-11/h3-6,8-9,13H,7,14H2,1-2H3
InChIKeyVPUOHIJEVVECBU-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

1-(3,4-difluorophenyl)-2-(1-methylpyrazol-4-yl)ethanamine
CID 62126805
2-(1-methylpyrazol-4-yl)-1-pyrimidin-5-ylethanamine
CID 102923318
2-(4-methylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 79436107
1-(4-methylphenyl)-2-(1-methylpyrazol-4-yl)sulfanylethanamine
CID 64627788
2-(1-methylpyrazol-4-yl)-1-(4-methyl-3-pyridinyl)ethanamine
CID 114877993
1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(1-methylpyrazol-4-yl)ethanamine
CID 115821547
1-(5-methylpyrazin-2-yl)-2-(1-methylpyrazol-4-yl)ethanamine
CID 105114103
1-(1,5-dimethylpyrazol-4-yl)-2-(1-methylpyrazol-4-yl)ethanamine
CID 105114026
1-(5-chlorothiophen-2-yl)-2-(1-methylpyrazol-4-yl)ethanamine
CID 115821386
2-methyl-N-[2-(4-methylphenyl)-3-(1-methylpyrazol-4-yl)propyl]propan-1-amine
CID 79430703
2-(1-methylpyrazol-4-yl)-1-thiophen-2-ylethanamine
CID 62127678
1-(1-methylpyrazol-4-yl)-2-pyridin-4-ylethanamine
CID 62551755

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-2-(1-methylpyrazol-4-yl)ethanamine?
The IUPAC name of 1-(4-methylphenyl)-2-(1-methylpyrazol-4-yl)ethanamine (CID 62125918) is 1-(4-methylphenyl)-2-(1-methylpyrazol-4-yl)ethanamine.
What is the SMILES notation for 1-(4-methylphenyl)-2-(1-methylpyrazol-4-yl)ethanamine?
The canonical SMILES for 1-(4-methylphenyl)-2-(1-methylpyrazol-4-yl)ethanamine is Cc1ccc(C(N)Cc2cnn(C)c2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-2-(1-methylpyrazol-4-yl)ethanamine?
The InChIKey is VPUOHIJEVVECBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-10-3-5-12(6-4-10)13(14)7-11-8-15-16(2)9-11/h3-6,8-9,13H,7,14H2,1-2H3.
What are the key properties of 1-(4-methylphenyl)-2-(1-methylpyrazol-4-yl)ethanamine?
1-(4-methylphenyl)-2-(1-methylpyrazol-4-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 1-(4-methylphenyl)-2-(1-methylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 62125918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).