4-fluoro-1,5-diphenyl-3-(trifluoromethyl)pyrazole

C16H10F4N2 — CID 10990409

IUPAC4-fluoro-1,5-diphenyl-3-(trifluoromethyl)pyrazole
SMILESFc1c(C(F)(F)F)nn(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C16H10F4N2/c17-13-14(11-7-3-1-4-8-11)22(12-9-5-2-6-10-12)21-15(13)16(18,19)20/h1-10H
InChIKeyRHHRMQHRGRBBRV-UHFFFAOYSA-N
MW306.26 g/mol
LogP4.70
Rot. Bonds2

About 4-fluoro-1,5-diphenyl-3-(trifluoromethyl)pyrazole

4-fluoro-1,5-diphenyl-3-(trifluoromethyl)pyrazole (PubChem CID 10990409) has the molecular formula C16H10F4N2 and a molecular weight of 306.26 g/mol. Its IUPAC name is 4-fluoro-1,5-diphenyl-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name4-fluoro-1,5-diphenyl-3-(trifluoromethyl)pyrazole
PubChem CID10990409
Molecular FormulaC16H10F4N2
Molecular Weight306.26 g/mol
Exact Mass306.08
IUPAC Name4-fluoro-1,5-diphenyl-3-(trifluoromethyl)pyrazole
SMILESFc1c(C(F)(F)F)nn(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C16H10F4N2/c17-13-14(11-7-3-1-4-8-11)22(12-9-5-2-6-10-12)21-15(13)16(18,19)20/h1-10H
InChIKeyRHHRMQHRGRBBRV-UHFFFAOYSA-N
XLogP4.70
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.26
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1,5-diphenyl-3-(trifluoromethyl)pyrazole?
The IUPAC name of 4-fluoro-1,5-diphenyl-3-(trifluoromethyl)pyrazole (CID 10990409) is 4-fluoro-1,5-diphenyl-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 4-fluoro-1,5-diphenyl-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 4-fluoro-1,5-diphenyl-3-(trifluoromethyl)pyrazole is Fc1c(C(F)(F)F)nn(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 4-fluoro-1,5-diphenyl-3-(trifluoromethyl)pyrazole?
The InChIKey is RHHRMQHRGRBBRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F4N2/c17-13-14(11-7-3-1-4-8-11)22(12-9-5-2-6-10-12)21-15(13)16(18,19)20/h1-10H.
What are the key properties of 4-fluoro-1,5-diphenyl-3-(trifluoromethyl)pyrazole?
4-fluoro-1,5-diphenyl-3-(trifluoromethyl)pyrazole has a molecular weight of 306.26 g/mol, XLogP of 4.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1,5-diphenyl-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 10990409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).