[5-methyl-1-(3-methylphenyl)pyrazol-3-yl]methanamine

C12H15N3 — CID 82076540

IUPAC[5-methyl-1-(3-methylphenyl)pyrazol-3-yl]methanamine
SMILESCc1cccc(-n2nc(CN)cc2C)c1
InChIInChI=1S/C12H15N3/c1-9-4-3-5-12(6-9)15-10(2)7-11(8-13)14-15/h3-7H,8,13H2,1-2H3
InChIKeyKGDIFCKLZGGWQY-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.95
Rot. Bonds2

About [5-methyl-1-(3-methylphenyl)pyrazol-3-yl]methanamine

[5-methyl-1-(3-methylphenyl)pyrazol-3-yl]methanamine (PubChem CID 82076540) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is [5-methyl-1-(3-methylphenyl)pyrazol-3-yl]methanamine.

Molecular Properties

Compound Name[5-methyl-1-(3-methylphenyl)pyrazol-3-yl]methanamine
PubChem CID82076540
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name[5-methyl-1-(3-methylphenyl)pyrazol-3-yl]methanamine
SMILESCc1cccc(-n2nc(CN)cc2C)c1
InChIInChI=1S/C12H15N3/c1-9-4-3-5-12(6-9)15-10(2)7-11(8-13)14-15/h3-7H,8,13H2,1-2H3
InChIKeyKGDIFCKLZGGWQY-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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Frequently Asked Questions

What is the IUPAC name of [5-methyl-1-(3-methylphenyl)pyrazol-3-yl]methanamine?
The IUPAC name of [5-methyl-1-(3-methylphenyl)pyrazol-3-yl]methanamine (CID 82076540) is [5-methyl-1-(3-methylphenyl)pyrazol-3-yl]methanamine.
What is the SMILES notation for [5-methyl-1-(3-methylphenyl)pyrazol-3-yl]methanamine?
The canonical SMILES for [5-methyl-1-(3-methylphenyl)pyrazol-3-yl]methanamine is Cc1cccc(-n2nc(CN)cc2C)c1.
What is the InChIKey of [5-methyl-1-(3-methylphenyl)pyrazol-3-yl]methanamine?
The InChIKey is KGDIFCKLZGGWQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c1-9-4-3-5-12(6-9)15-10(2)7-11(8-13)14-15/h3-7H,8,13H2,1-2H3.
What are the key properties of [5-methyl-1-(3-methylphenyl)pyrazol-3-yl]methanamine?
[5-methyl-1-(3-methylphenyl)pyrazol-3-yl]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 [5-methyl-1-(3-methylphenyl)pyrazol-3-yl]methanamine is sourced from PubChem (CID 82076540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).