[1-(2-methylphenyl)pyrazol-4-yl]methanamine

C11H13N3 — CID 24704103

IUPAC[1-(2-methylphenyl)pyrazol-4-yl]methanamine
SMILESCc1ccccc1-n1cc(CN)cn1
InChIInChI=1S/C11H13N3/c1-9-4-2-3-5-11(9)14-8-10(6-12)7-13-14/h2-5,7-8H,6,12H2,1H3
InChIKeyFTYROQMIVBSMPR-UHFFFAOYSA-N
MW187.25 g/mol
LogP1.64
Rot. Bonds2

About [1-(2-methylphenyl)pyrazol-4-yl]methanamine

[1-(2-methylphenyl)pyrazol-4-yl]methanamine (PubChem CID 24704103) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is [1-(2-methylphenyl)pyrazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-(2-methylphenyl)pyrazol-4-yl]methanamine
PubChem CID24704103
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC Name[1-(2-methylphenyl)pyrazol-4-yl]methanamine
SMILESCc1ccccc1-n1cc(CN)cn1
InChIInChI=1S/C11H13N3/c1-9-4-2-3-5-11(9)14-8-10(6-12)7-13-14/h2-5,7-8H,6,12H2,1H3
InChIKeyFTYROQMIVBSMPR-UHFFFAOYSA-N
XLogP1.64
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(2-methylphenyl)pyrazol-4-yl]methanamine?
The IUPAC name of [1-(2-methylphenyl)pyrazol-4-yl]methanamine (CID 24704103) is [1-(2-methylphenyl)pyrazol-4-yl]methanamine.
What is the SMILES notation for [1-(2-methylphenyl)pyrazol-4-yl]methanamine?
The canonical SMILES for [1-(2-methylphenyl)pyrazol-4-yl]methanamine is Cc1ccccc1-n1cc(CN)cn1.
What is the InChIKey of [1-(2-methylphenyl)pyrazol-4-yl]methanamine?
The InChIKey is FTYROQMIVBSMPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3/c1-9-4-2-3-5-11(9)14-8-10(6-12)7-13-14/h2-5,7-8H,6,12H2,1H3.
What are the key properties of [1-(2-methylphenyl)pyrazol-4-yl]methanamine?
[1-(2-methylphenyl)pyrazol-4-yl]methanamine has a molecular weight of 187.25 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methylphenyl)pyrazol-4-yl]methanamine is sourced from PubChem (CID 24704103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).