3-(trifluoromethyl)-1-[2-[2-[2-[6-[5-(trifluoromethyl)-3,4-dihydropyrazol-2-yl]cyclohexa-1,3-dien-1-yl]phenyl]phenyl]phenyl]pyrazole

C32H24F6N4 — CID 163567146

IUPAC3-(trifluoromethyl)-1-[2-[2-[2-[6-[5-(trifluoromethyl)-3,4-dihydropyrazol-2-yl]cyclohexa-1,3-dien-1-yl]phenyl]phenyl]phenyl]pyrazole
SMILESFC(F)(F)C1=NN(C2CC=CC=C2c2ccccc2-c2ccccc2-c2ccccc2-n2ccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C32H24F6N4/c33-31(34,35)29-17-19-41(39-29)27-15-7-5-13-25(27)23-11-3-1-9-21(23)22-10-2-4-12-24(22)26-14-6-8-16-28(26)42-20-18-30(40-42)32(36,37)38/h1-15,17,19,28H,16,18,20H2
InChIKeyFWEFJDGPQYXKLY-UHFFFAOYSA-N
MW578.56 g/mol
LogP8.56
Rot. Bonds5

About 3-(trifluoromethyl)-1-[2-[2-[2-[6-[5-(trifluoromethyl)-3,4-dihydropyrazol-2-yl]cyclohexa-1,3-dien-1-yl]phenyl]phenyl]phenyl]pyrazole

3-(trifluoromethyl)-1-[2-[2-[2-[6-[5-(trifluoromethyl)-3,4-dihydropyrazol-2-yl]cyclohexa-1,3-dien-1-yl]phenyl]phenyl]phenyl]pyrazole (PubChem CID 163567146) has the molecular formula C32H24F6N4 and a molecular weight of 578.56 g/mol. Its IUPAC name is 3-(trifluoromethyl)-1-[2-[2-[2-[6-[5-(trifluoromethyl)-3,4-dihydropyrazol-2-yl]cyclohexa-1,3-dien-1-yl]phenyl]phenyl]phenyl]pyrazole.

Molecular Properties

Compound Name3-(trifluoromethyl)-1-[2-[2-[2-[6-[5-(trifluoromethyl)-3,4-dihydropyrazol-2-yl]cyclohexa-1,3-dien-1-yl]phenyl]phenyl]phenyl]pyrazole
PubChem CID163567146
Molecular FormulaC32H24F6N4
Molecular Weight578.56 g/mol
Exact Mass578.19
IUPAC Name3-(trifluoromethyl)-1-[2-[2-[2-[6-[5-(trifluoromethyl)-3,4-dihydropyrazol-2-yl]cyclohexa-1,3-dien-1-yl]phenyl]phenyl]phenyl]pyrazole
SMILESFC(F)(F)C1=NN(C2CC=CC=C2c2ccccc2-c2ccccc2-c2ccccc2-n2ccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C32H24F6N4/c33-31(34,35)29-17-19-41(39-29)27-15-7-5-13-25(27)23-11-3-1-9-21(23)22-10-2-4-12-24(22)26-14-6-8-16-28(26)42-20-18-30(40-42)32(36,37)38/h1-15,17,19,28H,16,18,20H2
InChIKeyFWEFJDGPQYXKLY-UHFFFAOYSA-N
XLogP8.56
TPSA33.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.56
LogP ≤ 58.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(trifluoromethyl)-1-[2-[2-[2-[6-[5-(trifluoromethyl)-3,4-dihydropyrazol-2-yl]cyclohexa-1,3-dien-1-yl]phenyl]phenyl]phenyl]pyrazole with MolForge

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Related Compounds

1-[2-[2-[2-[2-(3-methylpyrazol-1-yl)phenyl]phenyl]phenyl]phenyl]-3-(trifluoromethyl)pyrazole
CID 70790409
[2-bromo-6-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanamine
CID 114879817
[2-fluoro-6-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanamine
CID 79517436
3-[3-(trifluoromethyl)pyrazol-1-yl]pyridine-4-carboxylic acid
CID 113269776
3-methyl-4-[3-(trifluoromethyl)pyrazol-1-yl]benzoic acid
CID 62120446
1-(5-cyclopropyl-1H-pyrazol-4-yl)-3-(trifluoromethyl)pyrazole
CID 173177183
5-chloro-2-[3-(trifluoromethyl)pyrazol-1-yl]benzoic acid
CID 55136857
1-[diphenyl-[3-[3-(trifluoromethyl)pyrazol-1-yl]pyrazol-1-yl]methyl]-3-[3-(trifluoromethyl)pyrazol-1-yl]pyrazole
CID 58704649
1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazole
CID 154211349
4-[4-[3-(trifluoromethyl)pyrazol-1-yl]quinolin-2-yl]morpholine
CID 11660281
1-(3-chloro-2-nitrophenyl)-3-(trifluoromethyl)pyrazole
CID 104839174
5-[2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
CID 169377541

Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)-1-[2-[2-[2-[6-[5-(trifluoromethyl)-3,4-dihydropyrazol-2-yl]cyclohexa-1,3-dien-1-yl]phenyl]phenyl]phenyl]pyrazole?
The IUPAC name of 3-(trifluoromethyl)-1-[2-[2-[2-[6-[5-(trifluoromethyl)-3,4-dihydropyrazol-2-yl]cyclohexa-1,3-dien-1-yl]phenyl]phenyl]phenyl]pyrazole (CID 163567146) is 3-(trifluoromethyl)-1-[2-[2-[2-[6-[5-(trifluoromethyl)-3,4-dihydropyrazol-2-yl]cyclohexa-1,3-dien-1-yl]phenyl]phenyl]phenyl]pyrazole.
What is the SMILES notation for 3-(trifluoromethyl)-1-[2-[2-[2-[6-[5-(trifluoromethyl)-3,4-dihydropyrazol-2-yl]cyclohexa-1,3-dien-1-yl]phenyl]phenyl]phenyl]pyrazole?
The canonical SMILES for 3-(trifluoromethyl)-1-[2-[2-[2-[6-[5-(trifluoromethyl)-3,4-dihydropyrazol-2-yl]cyclohexa-1,3-dien-1-yl]phenyl]phenyl]phenyl]pyrazole is FC(F)(F)C1=NN(C2CC=CC=C2c2ccccc2-c2ccccc2-c2ccccc2-n2ccc(C(F)(F)F)n2)CC1.
What is the InChIKey of 3-(trifluoromethyl)-1-[2-[2-[2-[6-[5-(trifluoromethyl)-3,4-dihydropyrazol-2-yl]cyclohexa-1,3-dien-1-yl]phenyl]phenyl]phenyl]pyrazole?
The InChIKey is FWEFJDGPQYXKLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24F6N4/c33-31(34,35)29-17-19-41(39-29)27-15-7-5-13-25(27)23-11-3-1-9-21(23)22-10-2-4-12-24(22)26-14-6-8-16-28(26)42-20-18-30(40-42)32(36,37)38/h1-15,17,19,28H,16,18,20H2.
What are the key properties of 3-(trifluoromethyl)-1-[2-[2-[2-[6-[5-(trifluoromethyl)-3,4-dihydropyrazol-2-yl]cyclohexa-1,3-dien-1-yl]phenyl]phenyl]phenyl]pyrazole?
3-(trifluoromethyl)-1-[2-[2-[2-[6-[5-(trifluoromethyl)-3,4-dihydropyrazol-2-yl]cyclohexa-1,3-dien-1-yl]phenyl]phenyl]phenyl]pyrazole has a molecular weight of 578.56 g/mol, XLogP of 8.56, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)-1-[2-[2-[2-[6-[5-(trifluoromethyl)-3,4-dihydropyrazol-2-yl]cyclohexa-1,3-dien-1-yl]phenyl]phenyl]phenyl]pyrazole is sourced from PubChem (CID 163567146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).