[3-fluoro-4-(trifluoromethyl)phenyl]-(1-methylpyrazol-4-yl)methanamine

C12H11F4N3 — CID 107288996

IUPAC[3-fluoro-4-(trifluoromethyl)phenyl]-(1-methylpyrazol-4-yl)methanamine
SMILESCn1cc(C(N)c2ccc(C(F)(F)F)c(F)c2)cn1
InChIInChI=1S/C12H11F4N3/c1-19-6-8(5-18-19)11(17)7-2-3-9(10(13)4-7)12(14,15)16/h2-6,11H,17H2,1H3
InChIKeyYKZGXWHGQXGKET-UHFFFAOYSA-N
MW273.23 g/mol
LogP2.63
Rot. Bonds2

About [3-fluoro-4-(trifluoromethyl)phenyl]-(1-methylpyrazol-4-yl)methanamine

[3-fluoro-4-(trifluoromethyl)phenyl]-(1-methylpyrazol-4-yl)methanamine (PubChem CID 107288996) has the molecular formula C12H11F4N3 and a molecular weight of 273.23 g/mol. Its IUPAC name is [3-fluoro-4-(trifluoromethyl)phenyl]-(1-methylpyrazol-4-yl)methanamine.

Molecular Properties

Compound Name[3-fluoro-4-(trifluoromethyl)phenyl]-(1-methylpyrazol-4-yl)methanamine
PubChem CID107288996
Molecular FormulaC12H11F4N3
Molecular Weight273.23 g/mol
Exact Mass273.09
IUPAC Name[3-fluoro-4-(trifluoromethyl)phenyl]-(1-methylpyrazol-4-yl)methanamine
SMILESCn1cc(C(N)c2ccc(C(F)(F)F)c(F)c2)cn1
InChIInChI=1S/C12H11F4N3/c1-19-6-8(5-18-19)11(17)7-2-3-9(10(13)4-7)12(14,15)16/h2-6,11H,17H2,1H3
InChIKeyYKZGXWHGQXGKET-UHFFFAOYSA-N
XLogP2.63
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.23
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-fluoro-4-methylphenyl)-(1-methylpyrazol-4-yl)methanamine
CID 43124203
N-[[3-fluoro-4-(trifluoromethyl)phenyl]-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 107288998
[3-fluoro-4-(trifluoromethyl)phenyl]-(1-methylimidazol-4-yl)methanamine
CID 107978063
(4-chlorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanamine
CID 107288719
[3-fluoro-4-(trifluoromethyl)phenyl]-(4-iodophenyl)methanamine
CID 107291498
(S)-(4-chlorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 170898786
(R)-[3-fluoro-4-(trifluoromethyl)phenyl]-(1-methylcyclopropyl)methanamine
CID 154991049
(2-chloro-6-fluorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanamine
CID 107291671
1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(1-methylpyrazol-4-yl)ethanamine
CID 115821547
(S)-[3-fluoro-4-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine;hydrochloride
CID 171209499
(5-bromo-2-pyridinyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanamine
CID 107289316
[3-fluoro-4-(trifluoromethyl)phenyl]-(3-methyl-2-pyridinyl)methanamine
CID 107288835

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-4-(trifluoromethyl)phenyl]-(1-methylpyrazol-4-yl)methanamine?
The IUPAC name of [3-fluoro-4-(trifluoromethyl)phenyl]-(1-methylpyrazol-4-yl)methanamine (CID 107288996) is [3-fluoro-4-(trifluoromethyl)phenyl]-(1-methylpyrazol-4-yl)methanamine.
What is the SMILES notation for [3-fluoro-4-(trifluoromethyl)phenyl]-(1-methylpyrazol-4-yl)methanamine?
The canonical SMILES for [3-fluoro-4-(trifluoromethyl)phenyl]-(1-methylpyrazol-4-yl)methanamine is Cn1cc(C(N)c2ccc(C(F)(F)F)c(F)c2)cn1.
What is the InChIKey of [3-fluoro-4-(trifluoromethyl)phenyl]-(1-methylpyrazol-4-yl)methanamine?
The InChIKey is YKZGXWHGQXGKET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F4N3/c1-19-6-8(5-18-19)11(17)7-2-3-9(10(13)4-7)12(14,15)16/h2-6,11H,17H2,1H3.
What are the key properties of [3-fluoro-4-(trifluoromethyl)phenyl]-(1-methylpyrazol-4-yl)methanamine?
[3-fluoro-4-(trifluoromethyl)phenyl]-(1-methylpyrazol-4-yl)methanamine has a molecular weight of 273.23 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-4-(trifluoromethyl)phenyl]-(1-methylpyrazol-4-yl)methanamine is sourced from PubChem (CID 107288996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).