1-(4-fluoro-2-methylphenyl)-5-(trifluoromethyl)pyrazol-3-amine

C11H9F4N3 — CID 79872711

IUPAC1-(4-fluoro-2-methylphenyl)-5-(trifluoromethyl)pyrazol-3-amine
SMILESCc1cc(F)ccc1-n1nc(N)cc1C(F)(F)F
InChIInChI=1S/C11H9F4N3/c1-6-4-7(12)2-3-8(6)18-9(11(13,14)15)5-10(16)17-18/h2-5H,1H3,(H2,16,17)
InChIKeyJYVVFHOMALNOFM-UHFFFAOYSA-N
MW259.21 g/mol
LogP2.92
Rot. Bonds1

About 1-(4-fluoro-2-methylphenyl)-5-(trifluoromethyl)pyrazol-3-amine

1-(4-fluoro-2-methylphenyl)-5-(trifluoromethyl)pyrazol-3-amine (PubChem CID 79872711) has the molecular formula C11H9F4N3 and a molecular weight of 259.21 g/mol. Its IUPAC name is 1-(4-fluoro-2-methylphenyl)-5-(trifluoromethyl)pyrazol-3-amine.

Molecular Properties

Compound Name1-(4-fluoro-2-methylphenyl)-5-(trifluoromethyl)pyrazol-3-amine
PubChem CID79872711
Molecular FormulaC11H9F4N3
Molecular Weight259.21 g/mol
Exact Mass259.07
IUPAC Name1-(4-fluoro-2-methylphenyl)-5-(trifluoromethyl)pyrazol-3-amine
SMILESCc1cc(F)ccc1-n1nc(N)cc1C(F)(F)F
InChIInChI=1S/C11H9F4N3/c1-6-4-7(12)2-3-8(6)18-9(11(13,14)15)5-10(16)17-18/h2-5H,1H3,(H2,16,17)
InChIKeyJYVVFHOMALNOFM-UHFFFAOYSA-N
XLogP2.92
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 ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methylphenyl)-5-(trifluoromethyl)pyrazol-3-amine?
The IUPAC name of 1-(4-fluoro-2-methylphenyl)-5-(trifluoromethyl)pyrazol-3-amine (CID 79872711) is 1-(4-fluoro-2-methylphenyl)-5-(trifluoromethyl)pyrazol-3-amine.
What is the SMILES notation for 1-(4-fluoro-2-methylphenyl)-5-(trifluoromethyl)pyrazol-3-amine?
The canonical SMILES for 1-(4-fluoro-2-methylphenyl)-5-(trifluoromethyl)pyrazol-3-amine is Cc1cc(F)ccc1-n1nc(N)cc1C(F)(F)F.
What is the InChIKey of 1-(4-fluoro-2-methylphenyl)-5-(trifluoromethyl)pyrazol-3-amine?
The InChIKey is JYVVFHOMALNOFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F4N3/c1-6-4-7(12)2-3-8(6)18-9(11(13,14)15)5-10(16)17-18/h2-5H,1H3,(H2,16,17).
What are the key properties of 1-(4-fluoro-2-methylphenyl)-5-(trifluoromethyl)pyrazol-3-amine?
1-(4-fluoro-2-methylphenyl)-5-(trifluoromethyl)pyrazol-3-amine has a molecular weight of 259.21 g/mol, XLogP of 2.92, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-methylphenyl)-5-(trifluoromethyl)pyrazol-3-amine is sourced from PubChem (CID 79872711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).