5-phenyl-2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazole

C16H13F3N2 — CID 156601233

IUPAC5-phenyl-2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazole
SMILESFC(F)(F)c1cccc(N2CCC(c3ccccc3)=N2)c1
InChIInChI=1S/C16H13F3N2/c17-16(18,19)13-7-4-8-14(11-13)21-10-9-15(20-21)12-5-2-1-3-6-12/h1-8,11H,9-10H2
InChIKeyUBDMJNFBXRSSMC-UHFFFAOYSA-N
MW290.29 g/mol
LogP4.32
Rot. Bonds2

About 5-phenyl-2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazole

5-phenyl-2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazole (PubChem CID 156601233) has the molecular formula C16H13F3N2 and a molecular weight of 290.29 g/mol. Its IUPAC name is 5-phenyl-2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazole.

Molecular Properties

Compound Name5-phenyl-2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazole
PubChem CID156601233
Molecular FormulaC16H13F3N2
Molecular Weight290.29 g/mol
Exact Mass290.10
IUPAC Name5-phenyl-2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazole
SMILESFC(F)(F)c1cccc(N2CCC(c3ccccc3)=N2)c1
InChIInChI=1S/C16H13F3N2/c17-16(18,19)13-7-4-8-14(11-13)21-10-9-15(20-21)12-5-2-1-3-6-12/h1-8,11H,9-10H2
InChIKeyUBDMJNFBXRSSMC-UHFFFAOYSA-N
XLogP4.32
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazole?
The IUPAC name of 5-phenyl-2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazole (CID 156601233) is 5-phenyl-2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazole.
What is the SMILES notation for 5-phenyl-2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazole?
The canonical SMILES for 5-phenyl-2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazole is FC(F)(F)c1cccc(N2CCC(c3ccccc3)=N2)c1.
What is the InChIKey of 5-phenyl-2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazole?
The InChIKey is UBDMJNFBXRSSMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N2/c17-16(18,19)13-7-4-8-14(11-13)21-10-9-15(20-21)12-5-2-1-3-6-12/h1-8,11H,9-10H2.
What are the key properties of 5-phenyl-2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazole?
5-phenyl-2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazole has a molecular weight of 290.29 g/mol, XLogP of 4.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazole is sourced from PubChem (CID 156601233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).