[2-methyl-3-(1-methylpyrazol-4-yl)phenyl]methanamine

C12H15N3 — CID 171364559

IUPAC[2-methyl-3-(1-methylpyrazol-4-yl)phenyl]methanamine
SMILESCc1c(CN)cccc1-c1cnn(C)c1
InChIInChI=1S/C12H15N3/c1-9-10(6-13)4-3-5-12(9)11-7-14-15(2)8-11/h3-5,7-8H,6,13H2,1-2H3
InChIKeyAAYTYDONULJBRS-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.85
Rot. Bonds2

About [2-methyl-3-(1-methylpyrazol-4-yl)phenyl]methanamine

[2-methyl-3-(1-methylpyrazol-4-yl)phenyl]methanamine (PubChem CID 171364559) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is [2-methyl-3-(1-methylpyrazol-4-yl)phenyl]methanamine.

Molecular Properties

Compound Name[2-methyl-3-(1-methylpyrazol-4-yl)phenyl]methanamine
PubChem CID171364559
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name[2-methyl-3-(1-methylpyrazol-4-yl)phenyl]methanamine
SMILESCc1c(CN)cccc1-c1cnn(C)c1
InChIInChI=1S/C12H15N3/c1-9-10(6-13)4-3-5-12(9)11-7-14-15(2)8-11/h3-5,7-8H,6,13H2,1-2H3
InChIKeyAAYTYDONULJBRS-UHFFFAOYSA-N
XLogP1.85
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 ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-methyl-3-(1-methylpyrazol-4-yl)phenyl]methanamine?
The IUPAC name of [2-methyl-3-(1-methylpyrazol-4-yl)phenyl]methanamine (CID 171364559) is [2-methyl-3-(1-methylpyrazol-4-yl)phenyl]methanamine.
What is the SMILES notation for [2-methyl-3-(1-methylpyrazol-4-yl)phenyl]methanamine?
The canonical SMILES for [2-methyl-3-(1-methylpyrazol-4-yl)phenyl]methanamine is Cc1c(CN)cccc1-c1cnn(C)c1.
What is the InChIKey of [2-methyl-3-(1-methylpyrazol-4-yl)phenyl]methanamine?
The InChIKey is AAYTYDONULJBRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c1-9-10(6-13)4-3-5-12(9)11-7-14-15(2)8-11/h3-5,7-8H,6,13H2,1-2H3.
What are the key properties of [2-methyl-3-(1-methylpyrazol-4-yl)phenyl]methanamine?
[2-methyl-3-(1-methylpyrazol-4-yl)phenyl]methanamine has a molecular weight of 201.27 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-3-(1-methylpyrazol-4-yl)phenyl]methanamine is sourced from PubChem (CID 171364559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).