[3-(2,6-difluorophenyl)-1-methylpyrazol-4-yl]methanamine

C11H11F2N3 — CID 79485433

IUPAC[3-(2,6-difluorophenyl)-1-methylpyrazol-4-yl]methanamine
SMILESCn1cc(CN)c(-c2c(F)cccc2F)n1
InChIInChI=1S/C11H11F2N3/c1-16-6-7(5-14)11(15-16)10-8(12)3-2-4-9(10)13/h2-4,6H,5,14H2,1H3
InChIKeyGLGICBPYQXJRAQ-UHFFFAOYSA-N
MW223.23 g/mol
LogP1.82
Rot. Bonds2

About [3-(2,6-difluorophenyl)-1-methylpyrazol-4-yl]methanamine

[3-(2,6-difluorophenyl)-1-methylpyrazol-4-yl]methanamine (PubChem CID 79485433) has the molecular formula C11H11F2N3 and a molecular weight of 223.23 g/mol. Its IUPAC name is [3-(2,6-difluorophenyl)-1-methylpyrazol-4-yl]methanamine.

Molecular Properties

Compound Name[3-(2,6-difluorophenyl)-1-methylpyrazol-4-yl]methanamine
PubChem CID79485433
Molecular FormulaC11H11F2N3
Molecular Weight223.23 g/mol
Exact Mass223.09
IUPAC Name[3-(2,6-difluorophenyl)-1-methylpyrazol-4-yl]methanamine
SMILESCn1cc(CN)c(-c2c(F)cccc2F)n1
InChIInChI=1S/C11H11F2N3/c1-16-6-7(5-14)11(15-16)10-8(12)3-2-4-9(10)13/h2-4,6H,5,14H2,1H3
InChIKeyGLGICBPYQXJRAQ-UHFFFAOYSA-N
XLogP1.82
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(2,6-difluorophenyl)-1-methylpyrazol-4-yl]methanamine?
The IUPAC name of [3-(2,6-difluorophenyl)-1-methylpyrazol-4-yl]methanamine (CID 79485433) is [3-(2,6-difluorophenyl)-1-methylpyrazol-4-yl]methanamine.
What is the SMILES notation for [3-(2,6-difluorophenyl)-1-methylpyrazol-4-yl]methanamine?
The canonical SMILES for [3-(2,6-difluorophenyl)-1-methylpyrazol-4-yl]methanamine is Cn1cc(CN)c(-c2c(F)cccc2F)n1.
What is the InChIKey of [3-(2,6-difluorophenyl)-1-methylpyrazol-4-yl]methanamine?
The InChIKey is GLGICBPYQXJRAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3/c1-16-6-7(5-14)11(15-16)10-8(12)3-2-4-9(10)13/h2-4,6H,5,14H2,1H3.
What are the key properties of [3-(2,6-difluorophenyl)-1-methylpyrazol-4-yl]methanamine?
[3-(2,6-difluorophenyl)-1-methylpyrazol-4-yl]methanamine has a molecular weight of 223.23 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,6-difluorophenyl)-1-methylpyrazol-4-yl]methanamine is sourced from PubChem (CID 79485433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).