[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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-Fluoro-benzyl)-1H-pyrazol-4-ylamine
CID 4362222
Fezolamine
CID 54567
(1S,3R)-N-((1-ethyl-5-(5-fluoro-6-methylpyridin-3-yl)-4-methyl-1H-pyrazol-3-yl)methyl)-3-fluorocyclopentanamine
CID 45270907
(1S,3R)-3-fluoro-N-((5-(5-fluoro-6-methylpyridin-3-yl)-1-isopropyl-4-methyl-1H-pyrazol-3-yl)methyl)cyclopentanamine
CID 45273531
1-(4-Fluorobenzyl)-1H-pyrazol-4-amine hydrochloride
CID 16192840
1-Methyl-3-phenyl-1H-pyrazole
CID 137946
4-(1H-pyrazol-1-ylmethyl)aniline
CID 2764412
(1-methyl-1H-pyrazol-5-yl)(phenyl)methanamine
CID 43817898
3-Cyclopropyl-1-[(4-methylphenyl)methyl]pyrazole
CID 3659088
N-{[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}-N-methyl-2-(1-methyl-1H-pyrazol-4-yl)ethanamine
CID 16190778
1-ethyl-3-methyl-4-[(3-methyl-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)methyl]-1H-pyrazole
CID 2986538
4-[3-(4-Fluorophenyl)-1-methyl-1h-pyrazol-4-yl]pyridine
CID 22037373

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).