[1-methyl-3-(3,4,5-trifluorophenyl)pyrazol-4-yl]methanamine

C11H10F3N3 — CID 79485434

IUPAC[1-methyl-3-(3,4,5-trifluorophenyl)pyrazol-4-yl]methanamine
SMILESCn1cc(CN)c(-c2cc(F)c(F)c(F)c2)n1
InChIInChI=1S/C11H10F3N3/c1-17-5-7(4-15)11(16-17)6-2-8(12)10(14)9(13)3-6/h2-3,5H,4,15H2,1H3
InChIKeyYYSWLLKDOKKXGO-UHFFFAOYSA-N
MW241.22 g/mol
LogP1.96
Rot. Bonds2

About [1-methyl-3-(3,4,5-trifluorophenyl)pyrazol-4-yl]methanamine

[1-methyl-3-(3,4,5-trifluorophenyl)pyrazol-4-yl]methanamine (PubChem CID 79485434) has the molecular formula C11H10F3N3 and a molecular weight of 241.22 g/mol. Its IUPAC name is [1-methyl-3-(3,4,5-trifluorophenyl)pyrazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-methyl-3-(3,4,5-trifluorophenyl)pyrazol-4-yl]methanamine
PubChem CID79485434
Molecular FormulaC11H10F3N3
Molecular Weight241.22 g/mol
Exact Mass241.08
IUPAC Name[1-methyl-3-(3,4,5-trifluorophenyl)pyrazol-4-yl]methanamine
SMILESCn1cc(CN)c(-c2cc(F)c(F)c(F)c2)n1
InChIInChI=1S/C11H10F3N3/c1-17-5-7(4-15)11(16-17)6-2-8(12)10(14)9(13)3-6/h2-3,5H,4,15H2,1H3
InChIKeyYYSWLLKDOKKXGO-UHFFFAOYSA-N
XLogP1.96
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.22
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-methyl-3-(3,4,5-trifluorophenyl)pyrazol-4-yl]methanamine?
The IUPAC name of [1-methyl-3-(3,4,5-trifluorophenyl)pyrazol-4-yl]methanamine (CID 79485434) is [1-methyl-3-(3,4,5-trifluorophenyl)pyrazol-4-yl]methanamine.
What is the SMILES notation for [1-methyl-3-(3,4,5-trifluorophenyl)pyrazol-4-yl]methanamine?
The canonical SMILES for [1-methyl-3-(3,4,5-trifluorophenyl)pyrazol-4-yl]methanamine is Cn1cc(CN)c(-c2cc(F)c(F)c(F)c2)n1.
What is the InChIKey of [1-methyl-3-(3,4,5-trifluorophenyl)pyrazol-4-yl]methanamine?
The InChIKey is YYSWLLKDOKKXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3/c1-17-5-7(4-15)11(16-17)6-2-8(12)10(14)9(13)3-6/h2-3,5H,4,15H2,1H3.
What are the key properties of [1-methyl-3-(3,4,5-trifluorophenyl)pyrazol-4-yl]methanamine?
[1-methyl-3-(3,4,5-trifluorophenyl)pyrazol-4-yl]methanamine has a molecular weight of 241.22 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-3-(3,4,5-trifluorophenyl)pyrazol-4-yl]methanamine is sourced from PubChem (CID 79485434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).