[3-methyl-2-(3-methylpyrazol-1-yl)phenyl]methanamine

C12H15N3 — CID 107105879

IUPAC[3-methyl-2-(3-methylpyrazol-1-yl)phenyl]methanamine
SMILESCc1ccn(-c2c(C)cccc2CN)n1
InChIInChI=1S/C12H15N3/c1-9-4-3-5-11(8-13)12(9)15-7-6-10(2)14-15/h3-7H,8,13H2,1-2H3
InChIKeyKDEZUSDANCXUAV-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.95
Rot. Bonds2

About [3-methyl-2-(3-methylpyrazol-1-yl)phenyl]methanamine

[3-methyl-2-(3-methylpyrazol-1-yl)phenyl]methanamine (PubChem CID 107105879) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is [3-methyl-2-(3-methylpyrazol-1-yl)phenyl]methanamine.

Molecular Properties

Compound Name[3-methyl-2-(3-methylpyrazol-1-yl)phenyl]methanamine
PubChem CID107105879
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name[3-methyl-2-(3-methylpyrazol-1-yl)phenyl]methanamine
SMILESCc1ccn(-c2c(C)cccc2CN)n1
InChIInChI=1S/C12H15N3/c1-9-4-3-5-11(8-13)12(9)15-7-6-10(2)14-15/h3-7H,8,13H2,1-2H3
InChIKeyKDEZUSDANCXUAV-UHFFFAOYSA-N
XLogP1.95
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(aminomethyl)-6-methylphenyl]pyrazole-3-carboxamide
CID 107105885
[3-methyl-2-(1,2,4-triazol-4-yl)phenyl]methanamine
CID 82504473
[4-(3-methylpyrazol-1-yl)phenyl]methanamine
CID 19627295
[3-(3-methylpyrazol-1-yl)naphthalen-2-yl]methanamine
CID 139945596
[3-chloro-2-(3-methylpyrazol-1-yl)-4-pyridinyl]methanamine
CID 107055878
[5-chloro-2-(3-methylpyrazol-1-yl)-4-pyridinyl]methanamine
CID 114927427
[3-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]methanamine
CID 107105483
1-(2,6-dimethylphenyl)-3-[2-(2,6-dimethylphenyl)phenyl]pyrazole
CID 59661638
(2,3-dimethylphenyl)methanamine;hydrate;dihydrochloride
CID 67571488
3,5-dichloro-4-(3-methylpyrazol-1-yl)aniline
CID 106890917
1-[2,4-dimethyl-5-(3-methylpyrazol-1-yl)benzene-6-id-1-yl]-3-methylpyrazole
CID 102401866
[2-(2,6-dimethylthiomorpholin-4-yl)-3-methylphenyl]methanamine
CID 107105724

Frequently Asked Questions

What is the IUPAC name of [3-methyl-2-(3-methylpyrazol-1-yl)phenyl]methanamine?
The IUPAC name of [3-methyl-2-(3-methylpyrazol-1-yl)phenyl]methanamine (CID 107105879) is [3-methyl-2-(3-methylpyrazol-1-yl)phenyl]methanamine.
What is the SMILES notation for [3-methyl-2-(3-methylpyrazol-1-yl)phenyl]methanamine?
The canonical SMILES for [3-methyl-2-(3-methylpyrazol-1-yl)phenyl]methanamine is Cc1ccn(-c2c(C)cccc2CN)n1.
What is the InChIKey of [3-methyl-2-(3-methylpyrazol-1-yl)phenyl]methanamine?
The InChIKey is KDEZUSDANCXUAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c1-9-4-3-5-11(8-13)12(9)15-7-6-10(2)14-15/h3-7H,8,13H2,1-2H3.
What are the key properties of [3-methyl-2-(3-methylpyrazol-1-yl)phenyl]methanamine?
[3-methyl-2-(3-methylpyrazol-1-yl)phenyl]methanamine has a molecular weight of 201.27 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-2-(3-methylpyrazol-1-yl)phenyl]methanamine is sourced from PubChem (CID 107105879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).