3,5-bis[3-(difluoromethoxy)phenyl]-1-phenylpyrazole

C23H16F4N2O2 — CID 17025617

IUPAC3,5-bis[3-(difluoromethoxy)phenyl]-1-phenylpyrazole
SMILESFC(F)Oc1cccc(-c2cc(-c3cccc(OC(F)F)c3)n(-c3ccccc3)n2)c1
InChIInChI=1S/C23H16F4N2O2/c24-22(25)30-18-10-4-6-15(12-18)20-14-21(29(28-20)17-8-2-1-3-9-17)16-7-5-11-19(13-16)31-23(26)27/h1-14,22-23H
InChIKeyRBZKLQJTVUVAJJ-UHFFFAOYSA-N
MW428.39 g/mol
LogP6.41
Rot. Bonds7

About 3,5-bis[3-(difluoromethoxy)phenyl]-1-phenylpyrazole

3,5-bis[3-(difluoromethoxy)phenyl]-1-phenylpyrazole (PubChem CID 17025617) has the molecular formula C23H16F4N2O2 and a molecular weight of 428.39 g/mol. Its IUPAC name is 3,5-bis[3-(difluoromethoxy)phenyl]-1-phenylpyrazole.

Molecular Properties

Compound Name3,5-bis[3-(difluoromethoxy)phenyl]-1-phenylpyrazole
PubChem CID17025617
Molecular FormulaC23H16F4N2O2
Molecular Weight428.39 g/mol
Exact Mass428.11
IUPAC Name3,5-bis[3-(difluoromethoxy)phenyl]-1-phenylpyrazole
SMILESFC(F)Oc1cccc(-c2cc(-c3cccc(OC(F)F)c3)n(-c3ccccc3)n2)c1
InChIInChI=1S/C23H16F4N2O2/c24-22(25)30-18-10-4-6-15(12-18)20-14-21(29(28-20)17-8-2-1-3-9-17)16-7-5-11-19(13-16)31-23(26)27/h1-14,22-23H
InChIKeyRBZKLQJTVUVAJJ-UHFFFAOYSA-N
XLogP6.41
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.39
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-bis[3-(difluoromethoxy)phenyl]-1-(3-methylphenyl)pyrazole
CID 19587059
1,3,5-triphenylpyrazole
CID 626614
3-(4-fluorophenyl)-1,5-diphenylpyrazole
CID 14978147
3-(3-bromophenyl)-5-(4-methoxyphenyl)-1-phenylpyrazole
CID 71713430
1-amino-6-[3-(difluoromethoxy)phenyl]-4-imidazol-1-ylpyridin-2-one
CID 142677395
2-[5-(3-hydroxyphenyl)-1-phenylpyrazol-3-yl]phenol
CID 135497208
4-[3-(difluoromethoxy)phenyl]-1H-1,2,4-triazol-5-one
CID 112758289
2-(4-chlorophenyl)-4-[3-(difluoromethoxy)phenyl]-1,3-thiazole
CID 2742538
4-[1-(4-aminophenyl)-3-phenylpyrazol-5-yl]aniline
CID 71342425
3-(4-methoxyphenyl)-5-phenyl-1-[3-(trifluoromethyl)phenyl]pyrazole
CID 16751865
2-[3-[2-[1-(4-chlorophenyl)-5-(3,4-dimethylphenyl)pyrazol-3-yl]phenyl]phenoxy]acetic acid
CID 141234330
5-oxo-N-[1-phenyl-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-yl]pyrrolidine-3-carboxamide
CID 162540510

Frequently Asked Questions

What is the IUPAC name of 3,5-bis[3-(difluoromethoxy)phenyl]-1-phenylpyrazole?
The IUPAC name of 3,5-bis[3-(difluoromethoxy)phenyl]-1-phenylpyrazole (CID 17025617) is 3,5-bis[3-(difluoromethoxy)phenyl]-1-phenylpyrazole.
What is the SMILES notation for 3,5-bis[3-(difluoromethoxy)phenyl]-1-phenylpyrazole?
The canonical SMILES for 3,5-bis[3-(difluoromethoxy)phenyl]-1-phenylpyrazole is FC(F)Oc1cccc(-c2cc(-c3cccc(OC(F)F)c3)n(-c3ccccc3)n2)c1.
What is the InChIKey of 3,5-bis[3-(difluoromethoxy)phenyl]-1-phenylpyrazole?
The InChIKey is RBZKLQJTVUVAJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F4N2O2/c24-22(25)30-18-10-4-6-15(12-18)20-14-21(29(28-20)17-8-2-1-3-9-17)16-7-5-11-19(13-16)31-23(26)27/h1-14,22-23H.
What are the key properties of 3,5-bis[3-(difluoromethoxy)phenyl]-1-phenylpyrazole?
3,5-bis[3-(difluoromethoxy)phenyl]-1-phenylpyrazole has a molecular weight of 428.39 g/mol, XLogP of 6.41, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis[3-(difluoromethoxy)phenyl]-1-phenylpyrazole is sourced from PubChem (CID 17025617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).