[3-(2,5-dimethylphenyl)-1-methylpyrazol-4-yl]methanamine

C13H17N3 — CID 79485518

IUPAC[3-(2,5-dimethylphenyl)-1-methylpyrazol-4-yl]methanamine
SMILESCc1ccc(C)c(-c2nn(C)cc2CN)c1
InChIInChI=1S/C13H17N3/c1-9-4-5-10(2)12(6-9)13-11(7-14)8-16(3)15-13/h4-6,8H,7,14H2,1-3H3
InChIKeyMIXXHUPEEZQLEX-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.16
Rot. Bonds2

About [3-(2,5-dimethylphenyl)-1-methylpyrazol-4-yl]methanamine

[3-(2,5-dimethylphenyl)-1-methylpyrazol-4-yl]methanamine (PubChem CID 79485518) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is [3-(2,5-dimethylphenyl)-1-methylpyrazol-4-yl]methanamine.

Molecular Properties

Compound Name[3-(2,5-dimethylphenyl)-1-methylpyrazol-4-yl]methanamine
PubChem CID79485518
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name[3-(2,5-dimethylphenyl)-1-methylpyrazol-4-yl]methanamine
SMILESCc1ccc(C)c(-c2nn(C)cc2CN)c1
InChIInChI=1S/C13H17N3/c1-9-4-5-10(2)12(6-9)13-11(7-14)8-16(3)15-13/h4-6,8H,7,14H2,1-3H3
InChIKeyMIXXHUPEEZQLEX-UHFFFAOYSA-N
XLogP2.16
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(2,5-dimethylphenyl)-1-methylpyrazol-4-yl]methanamine?
The IUPAC name of [3-(2,5-dimethylphenyl)-1-methylpyrazol-4-yl]methanamine (CID 79485518) is [3-(2,5-dimethylphenyl)-1-methylpyrazol-4-yl]methanamine.
What is the SMILES notation for [3-(2,5-dimethylphenyl)-1-methylpyrazol-4-yl]methanamine?
The canonical SMILES for [3-(2,5-dimethylphenyl)-1-methylpyrazol-4-yl]methanamine is Cc1ccc(C)c(-c2nn(C)cc2CN)c1.
What is the InChIKey of [3-(2,5-dimethylphenyl)-1-methylpyrazol-4-yl]methanamine?
The InChIKey is MIXXHUPEEZQLEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-9-4-5-10(2)12(6-9)13-11(7-14)8-16(3)15-13/h4-6,8H,7,14H2,1-3H3.
What are the key properties of [3-(2,5-dimethylphenyl)-1-methylpyrazol-4-yl]methanamine?
[3-(2,5-dimethylphenyl)-1-methylpyrazol-4-yl]methanamine has a molecular weight of 215.30 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,5-dimethylphenyl)-1-methylpyrazol-4-yl]methanamine is sourced from PubChem (CID 79485518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).