4-[3-fluoro-2-(trifluoromethyl)phenyl]-1-methylpyrazol-5-amine

C11H9F4N3 — CID 117401092

IUPAC4-[3-fluoro-2-(trifluoromethyl)phenyl]-1-methylpyrazol-5-amine
SMILESCn1ncc(-c2cccc(F)c2C(F)(F)F)c1N
InChIInChI=1S/C11H9F4N3/c1-18-10(16)7(5-17-18)6-3-2-4-8(12)9(6)11(13,14)15/h2-5H,16H2,1H3
InChIKeyIHBIBNDPOSUAEC-UHFFFAOYSA-N
MW259.21 g/mol
LogP2.83
Rot. Bonds1

About 4-[3-fluoro-2-(trifluoromethyl)phenyl]-1-methylpyrazol-5-amine

4-[3-fluoro-2-(trifluoromethyl)phenyl]-1-methylpyrazol-5-amine (PubChem CID 117401092) has the molecular formula C11H9F4N3 and a molecular weight of 259.21 g/mol. Its IUPAC name is 4-[3-fluoro-2-(trifluoromethyl)phenyl]-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name4-[3-fluoro-2-(trifluoromethyl)phenyl]-1-methylpyrazol-5-amine
PubChem CID117401092
Molecular FormulaC11H9F4N3
Molecular Weight259.21 g/mol
Exact Mass259.07
IUPAC Name4-[3-fluoro-2-(trifluoromethyl)phenyl]-1-methylpyrazol-5-amine
SMILESCn1ncc(-c2cccc(F)c2C(F)(F)F)c1N
InChIInChI=1S/C11H9F4N3/c1-18-10(16)7(5-17-18)6-3-2-4-8(12)9(6)11(13,14)15/h2-5H,16H2,1H3
InChIKeyIHBIBNDPOSUAEC-UHFFFAOYSA-N
XLogP2.83
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.21
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-fluoro-2-(fluoromethyl)phenyl]-1-methylpyrazol-5-amine
CID 117319241
4-(3-fluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine;hydrobromide
CID 117486227
1-methyl-4-[2-(trifluoromethyl)-1H-indol-4-yl]pyrazol-5-amine
CID 117449657
4-[2-fluoro-5-(2-fluoropropan-2-yl)phenyl]-1-methylpyrazol-5-amine
CID 117380822
1-fluoro-3-(2-fluorophenyl)-2-(trifluoromethyl)benzene
CID 46314542
2-(5-amino-1-methylpyrazol-4-yl)phenol
CID 105422844
4-[3-chloro-2-(fluoromethyl)phenyl]-1-methylpyrazol-5-amine
CID 117351866
4-(2-fluoro-4,5-dimethylphenyl)-1-methylpyrazol-5-amine
CID 117312373
1-methyl-4-(2-propan-2-ylphenyl)pyrazol-5-amine
CID 117307113
4-(2-bromo-3,4-difluorophenyl)-1-methylpyrazol-5-amine
CID 117464605
4-[2-chloro-4-(trifluoromethyl)phenyl]-1-methylpyrazol-5-amine
CID 117441268
4-(2,5-difluoro-4-methylphenyl)-1-methylpyrazol-5-amine
CID 117319250

Frequently Asked Questions

What is the IUPAC name of 4-[3-fluoro-2-(trifluoromethyl)phenyl]-1-methylpyrazol-5-amine?
The IUPAC name of 4-[3-fluoro-2-(trifluoromethyl)phenyl]-1-methylpyrazol-5-amine (CID 117401092) is 4-[3-fluoro-2-(trifluoromethyl)phenyl]-1-methylpyrazol-5-amine.
What is the SMILES notation for 4-[3-fluoro-2-(trifluoromethyl)phenyl]-1-methylpyrazol-5-amine?
The canonical SMILES for 4-[3-fluoro-2-(trifluoromethyl)phenyl]-1-methylpyrazol-5-amine is Cn1ncc(-c2cccc(F)c2C(F)(F)F)c1N.
What is the InChIKey of 4-[3-fluoro-2-(trifluoromethyl)phenyl]-1-methylpyrazol-5-amine?
The InChIKey is IHBIBNDPOSUAEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F4N3/c1-18-10(16)7(5-17-18)6-3-2-4-8(12)9(6)11(13,14)15/h2-5H,16H2,1H3.
What are the key properties of 4-[3-fluoro-2-(trifluoromethyl)phenyl]-1-methylpyrazol-5-amine?
4-[3-fluoro-2-(trifluoromethyl)phenyl]-1-methylpyrazol-5-amine has a molecular weight of 259.21 g/mol, XLogP of 2.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-fluoro-2-(trifluoromethyl)phenyl]-1-methylpyrazol-5-amine is sourced from PubChem (CID 117401092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).