4-(3-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazole

C10H6F4N2 — CID 134375602

IUPAC4-(3-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazole
SMILESFc1cccc(-c2cn[nH]c2C(F)(F)F)c1
InChIInChI=1S/C10H6F4N2/c11-7-3-1-2-6(4-7)8-5-15-16-9(8)10(12,13)14/h1-5H,(H,15,16)
InChIKeyJHZKAJQLWMBTOL-UHFFFAOYSA-N
MW230.16 g/mol
LogP3.23
Rot. Bonds1

About 4-(3-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazole

4-(3-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazole (PubChem CID 134375602) has the molecular formula C10H6F4N2 and a molecular weight of 230.16 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazole.

Molecular Properties

Compound Name4-(3-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazole
PubChem CID134375602
Molecular FormulaC10H6F4N2
Molecular Weight230.16 g/mol
Exact Mass230.05
IUPAC Name4-(3-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazole
SMILESFc1cccc(-c2cn[nH]c2C(F)(F)F)c1
InChIInChI=1S/C10H6F4N2/c11-7-3-1-2-6(4-7)8-5-15-16-9(8)10(12,13)14/h1-5H,(H,15,16)
InChIKeyJHZKAJQLWMBTOL-UHFFFAOYSA-N
XLogP3.23
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.16
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-chloro-3-(3-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazole
CID 21071142
4-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]pyridine
CID 22037203
7-(3-fluorophenyl)-1H-pyrazolo[4,3-c]pyridine
CID 165469424
4-(2-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole
CID 135084268
5-(3-fluorophenyl)-1H-1,2,4-triazole
CID 53264352
2-chloro-3-(3-fluorophenyl)-5-(trifluoromethyl)pyridine
CID 46312062
1-(3-fluorophenyl)-4-iodo-2-(trifluoromethyl)benzene
CID 46312827
3-(5-tert-butyl-1H-pyrazol-4-yl)benzaldehyde
CID 39222110
2-tert-butyl-5-(3-fluorophenyl)-4-(trifluoromethyl)pyridine
CID 121384491
4-ethyl-5-(3-fluorophenyl)-1H-pyrazole
CID 143699505
3-(3-fluorophenyl)-6-(trifluoromethyl)-1H-pyridin-2-one
CID 46312799
2-fluoro-3,5-bis(3-fluorophenyl)pyridine
CID 46313566

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazole?
The IUPAC name of 4-(3-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazole (CID 134375602) is 4-(3-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazole.
What is the SMILES notation for 4-(3-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazole?
The canonical SMILES for 4-(3-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazole is Fc1cccc(-c2cn[nH]c2C(F)(F)F)c1.
What is the InChIKey of 4-(3-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazole?
The InChIKey is JHZKAJQLWMBTOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F4N2/c11-7-3-1-2-6(4-7)8-5-15-16-9(8)10(12,13)14/h1-5H,(H,15,16).
What are the key properties of 4-(3-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazole?
4-(3-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazole has a molecular weight of 230.16 g/mol, XLogP of 3.23, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazole is sourced from PubChem (CID 134375602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).