1-(3,4-dimethylphenyl)-2-pyrazol-1-ylethanamine

C13H17N3 — CID 16643554

IUPAC1-(3,4-dimethylphenyl)-2-pyrazol-1-ylethanamine
SMILESCc1ccc(C(N)Cn2cccn2)cc1C
InChIInChI=1S/C13H17N3/c1-10-4-5-12(8-11(10)2)13(14)9-16-7-3-6-15-16/h3-8,13H,9,14H2,1-2H3
InChIKeyNYSQGZUATLEELX-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.20
Rot. Bonds3

About 1-(3,4-dimethylphenyl)-2-pyrazol-1-ylethanamine

1-(3,4-dimethylphenyl)-2-pyrazol-1-ylethanamine (PubChem CID 16643554) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-2-pyrazol-1-ylethanamine.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-2-pyrazol-1-ylethanamine
PubChem CID16643554
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name1-(3,4-dimethylphenyl)-2-pyrazol-1-ylethanamine
SMILESCc1ccc(C(N)Cn2cccn2)cc1C
InChIInChI=1S/C13H17N3/c1-10-4-5-12(8-11(10)2)13(14)9-16-7-3-6-15-16/h3-8,13H,9,14H2,1-2H3
InChIKeyNYSQGZUATLEELX-UHFFFAOYSA-N
XLogP2.20
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 ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-pyrazol-1-yl-1-(2,4,6-trimethylphenyl)ethanamine
CID 16793617
1-(3,4-dimethylphenyl)-2-(2-propan-2-ylimidazol-1-yl)ethanamine
CID 43211502
1-(3,4-dimethylphenyl)-2-(2-pyrazol-1-ylethylamino)ethanol
CID 56780909
2-(4,5-dimethylimidazol-1-yl)-1-(3,4-dimethylphenyl)ethanamine
CID 62350731
1-(3,4-dimethylphenyl)-3-methylidenepentan-1-amine
CID 105005776
2-(1-amino-2-pyrazol-1-ylethyl)phenol
CID 16641636
1-(2,6-difluorophenyl)-2-pyrazol-1-ylethanamine
CID 16781787
1-(3,4-dimethylphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103031043
3-[2-amino-2-(3,4-dimethylphenyl)ethyl]-6-methylpyrimidin-4-one
CID 61224748
1-(3,4-dimethylphenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine
CID 104991711
(1R)-1-(3,4-dimethylphenyl)hexan-1-amine;hydrochloride
CID 171200481
1-[2-amino-2-(3,4-dimethylphenyl)ethyl]azepane-2,7-dione
CID 43447586

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-2-pyrazol-1-ylethanamine?
The IUPAC name of 1-(3,4-dimethylphenyl)-2-pyrazol-1-ylethanamine (CID 16643554) is 1-(3,4-dimethylphenyl)-2-pyrazol-1-ylethanamine.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-2-pyrazol-1-ylethanamine?
The canonical SMILES for 1-(3,4-dimethylphenyl)-2-pyrazol-1-ylethanamine is Cc1ccc(C(N)Cn2cccn2)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-2-pyrazol-1-ylethanamine?
The InChIKey is NYSQGZUATLEELX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-10-4-5-12(8-11(10)2)13(14)9-16-7-3-6-15-16/h3-8,13H,9,14H2,1-2H3.
What are the key properties of 1-(3,4-dimethylphenyl)-2-pyrazol-1-ylethanamine?
1-(3,4-dimethylphenyl)-2-pyrazol-1-ylethanamine has a molecular weight of 215.30 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-2-pyrazol-1-ylethanamine is sourced from PubChem (CID 16643554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).