1-[2-fluoro-6-(trifluoromethyl)phenyl]pyrazol-4-amine

C10H7F4N3 — CID 83807314

IUPAC1-[2-fluoro-6-(trifluoromethyl)phenyl]pyrazol-4-amine
SMILESNc1cnn(-c2c(F)cccc2C(F)(F)F)c1
InChIInChI=1S/C10H7F4N3/c11-8-3-1-2-7(10(12,13)14)9(8)17-5-6(15)4-16-17/h1-5H,15H2
InChIKeyZZCIXAZLXFCSTD-UHFFFAOYSA-N
MW245.18 g/mol
LogP2.61
Rot. Bonds1

About 1-[2-fluoro-6-(trifluoromethyl)phenyl]pyrazol-4-amine

1-[2-fluoro-6-(trifluoromethyl)phenyl]pyrazol-4-amine (PubChem CID 83807314) has the molecular formula C10H7F4N3 and a molecular weight of 245.18 g/mol. Its IUPAC name is 1-[2-fluoro-6-(trifluoromethyl)phenyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-[2-fluoro-6-(trifluoromethyl)phenyl]pyrazol-4-amine
PubChem CID83807314
Molecular FormulaC10H7F4N3
Molecular Weight245.18 g/mol
Exact Mass245.06
IUPAC Name1-[2-fluoro-6-(trifluoromethyl)phenyl]pyrazol-4-amine
SMILESNc1cnn(-c2c(F)cccc2C(F)(F)F)c1
InChIInChI=1S/C10H7F4N3/c11-8-3-1-2-7(10(12,13)14)9(8)17-5-6(15)4-16-17/h1-5H,15H2
InChIKeyZZCIXAZLXFCSTD-UHFFFAOYSA-N
XLogP2.61
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.18
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(trifluoromethyl)phenyl]pyrazol-4-amine
CID 57416966
1-[2,4-bis(trifluoromethyl)phenyl]pyrazol-4-amine
CID 153285852
1-(6-fluoro-2-pyridinyl)pyrazol-4-amine
CID 172992402
1-[5-(trifluoromethyl)pyrimidin-2-yl]pyrazol-4-amine
CID 170699249
1-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-4-amine
CID 134821905
1-(2-fluoro-5-iodophenyl)pyrazol-4-amine
CID 130121289
5-[2-fluoro-6-(trifluoromethyl)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
CID 169373996
3,5-difluoro-4-(4-phenylpyrazol-1-yl)aniline
CID 62772004
8-fluoro-4-(trifluoromethyl)isoquinolin-1-amine
CID 115063127
1-(3-bromophenyl)pyrazol-4-amine
CID 43542774
1-(6-chloro-2-pyridinyl)pyrazol-4-amine
CID 84773266
ethane;4-[4-(trifluoromethyl)pyrazol-1-yl]aniline
CID 145417662

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-6-(trifluoromethyl)phenyl]pyrazol-4-amine?
The IUPAC name of 1-[2-fluoro-6-(trifluoromethyl)phenyl]pyrazol-4-amine (CID 83807314) is 1-[2-fluoro-6-(trifluoromethyl)phenyl]pyrazol-4-amine.
What is the SMILES notation for 1-[2-fluoro-6-(trifluoromethyl)phenyl]pyrazol-4-amine?
The canonical SMILES for 1-[2-fluoro-6-(trifluoromethyl)phenyl]pyrazol-4-amine is Nc1cnn(-c2c(F)cccc2C(F)(F)F)c1.
What is the InChIKey of 1-[2-fluoro-6-(trifluoromethyl)phenyl]pyrazol-4-amine?
The InChIKey is ZZCIXAZLXFCSTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F4N3/c11-8-3-1-2-7(10(12,13)14)9(8)17-5-6(15)4-16-17/h1-5H,15H2.
What are the key properties of 1-[2-fluoro-6-(trifluoromethyl)phenyl]pyrazol-4-amine?
1-[2-fluoro-6-(trifluoromethyl)phenyl]pyrazol-4-amine has a molecular weight of 245.18 g/mol, XLogP of 2.61, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-6-(trifluoromethyl)phenyl]pyrazol-4-amine is sourced from PubChem (CID 83807314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).