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

C11H11F2N3 — CID 117319241

IUPAC4-[3-fluoro-2-(fluoromethyl)phenyl]-1-methylpyrazol-5-amine
SMILESCn1ncc(-c2cccc(F)c2CF)c1N
InChIInChI=1S/C11H11F2N3/c1-16-11(14)9(6-15-16)7-3-2-4-10(13)8(7)5-12/h2-4,6H,5,14H2,1H3
InChIKeyJSIGLCKTVHDIFA-UHFFFAOYSA-N
MW223.23 g/mol
LogP2.28
Rot. Bonds2

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

4-[3-fluoro-2-(fluoromethyl)phenyl]-1-methylpyrazol-5-amine (PubChem CID 117319241) has the molecular formula C11H11F2N3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 4-[3-fluoro-2-(fluoromethyl)phenyl]-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name4-[3-fluoro-2-(fluoromethyl)phenyl]-1-methylpyrazol-5-amine
PubChem CID117319241
Molecular FormulaC11H11F2N3
Molecular Weight223.23 g/mol
Exact Mass223.09
IUPAC Name4-[3-fluoro-2-(fluoromethyl)phenyl]-1-methylpyrazol-5-amine
SMILESCn1ncc(-c2cccc(F)c2CF)c1N
InChIInChI=1S/C11H11F2N3/c1-16-11(14)9(6-15-16)7-3-2-4-10(13)8(7)5-12/h2-4,6H,5,14H2,1H3
InChIKeyJSIGLCKTVHDIFA-UHFFFAOYSA-N
XLogP2.28
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 ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-chloro-2-(fluoromethyl)phenyl]-1-methylpyrazol-5-amine
CID 117351866
4-[3-fluoro-2-(trifluoromethyl)phenyl]-1-methylpyrazol-5-amine
CID 117401092
4-(3-fluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine;hydrobromide
CID 117486227
4-[2,4-difluoro-3-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine
CID 117385316
2-(5-amino-1-methylpyrazol-4-yl)phenol
CID 105422844
4-[5-(fluoromethyl)-2-methylphenyl]-1-methylpyrazol-5-amine
CID 117312379
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-(2,5-difluoro-4-methylphenyl)-1-methylpyrazol-5-amine
CID 117319250
4-(3-methoxy-2-methylsulfanylphenyl)-1-methylpyrazol-5-amine
CID 117376786
4-(2-methoxy-3-methylsulfanylphenyl)-1-methylpyrazol-5-amine
CID 117376784

Frequently Asked Questions

What is the IUPAC name of 4-[3-fluoro-2-(fluoromethyl)phenyl]-1-methylpyrazol-5-amine?
The IUPAC name of 4-[3-fluoro-2-(fluoromethyl)phenyl]-1-methylpyrazol-5-amine (CID 117319241) is 4-[3-fluoro-2-(fluoromethyl)phenyl]-1-methylpyrazol-5-amine.
What is the SMILES notation for 4-[3-fluoro-2-(fluoromethyl)phenyl]-1-methylpyrazol-5-amine?
The canonical SMILES for 4-[3-fluoro-2-(fluoromethyl)phenyl]-1-methylpyrazol-5-amine is Cn1ncc(-c2cccc(F)c2CF)c1N.
What is the InChIKey of 4-[3-fluoro-2-(fluoromethyl)phenyl]-1-methylpyrazol-5-amine?
The InChIKey is JSIGLCKTVHDIFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3/c1-16-11(14)9(6-15-16)7-3-2-4-10(13)8(7)5-12/h2-4,6H,5,14H2,1H3.
What are the key properties of 4-[3-fluoro-2-(fluoromethyl)phenyl]-1-methylpyrazol-5-amine?
4-[3-fluoro-2-(fluoromethyl)phenyl]-1-methylpyrazol-5-amine has a molecular weight of 223.23 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-fluoro-2-(fluoromethyl)phenyl]-1-methylpyrazol-5-amine is sourced from PubChem (CID 117319241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).