3-[4-(trifluoromethyl)phenyl]-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazole

C18H12F6N2 — CID 175294530

IUPAC3-[4-(trifluoromethyl)phenyl]-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazole
SMILESFC(F)(F)c1ccc(Cn2ccc(-c3ccc(C(F)(F)F)cc3)n2)cc1
InChIInChI=1S/C18H12F6N2/c19-17(20,21)14-5-1-12(2-6-14)11-26-10-9-16(25-26)13-3-7-15(8-4-13)18(22,23)24/h1-10H,11H2
InChIKeyWBNMNVGHNIEFTR-UHFFFAOYSA-N
MW370.30 g/mol
LogP5.64
Rot. Bonds3

About 3-[4-(trifluoromethyl)phenyl]-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazole

3-[4-(trifluoromethyl)phenyl]-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazole (PubChem CID 175294530) has the molecular formula C18H12F6N2 and a molecular weight of 370.30 g/mol. Its IUPAC name is 3-[4-(trifluoromethyl)phenyl]-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazole.

Molecular Properties

Compound Name3-[4-(trifluoromethyl)phenyl]-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazole
PubChem CID175294530
Molecular FormulaC18H12F6N2
Molecular Weight370.30 g/mol
Exact Mass370.09
IUPAC Name3-[4-(trifluoromethyl)phenyl]-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazole
SMILESFC(F)(F)c1ccc(Cn2ccc(-c3ccc(C(F)(F)F)cc3)n2)cc1
InChIInChI=1S/C18H12F6N2/c19-17(20,21)14-5-1-12(2-6-14)11-26-10-9-16(25-26)13-3-7-15(8-4-13)18(22,23)24/h1-10H,11H2
InChIKeyWBNMNVGHNIEFTR-UHFFFAOYSA-N
XLogP5.64
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.30
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 142784777
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N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
CID 90588192
4-(4-methoxyphenyl)-1-[[4-(trifluoromethyl)phenyl]methyl]triazole
CID 162666489
3-(4-fluorophenyl)-1-[(4-phenylmethoxyphenyl)methyl]pyrazole
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1-[[4-(1H-pyrazol-4-yl)phenyl]methyl]-4-[4-(trifluoromethyl)phenyl]triazole
CID 150482255
1-ethyl-3-(4-ethylphenyl)pyrazole
CID 70954966
3-[3-[3,5-bis(trifluoromethyl)phenyl]pyrazol-1-yl]propanoic acid
CID 125482193
trimethyl-[4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]silane
CID 103438540
2-[3-[4-(chloromethyl)phenyl]pyrazol-1-yl]ethanamine
CID 174664532
1-[(4-bromophenyl)methyl]-3-thiophen-3-ylpyrazole
CID 56561715
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CID 62727284

Frequently Asked Questions

What is the IUPAC name of 3-[4-(trifluoromethyl)phenyl]-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazole?
The IUPAC name of 3-[4-(trifluoromethyl)phenyl]-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazole (CID 175294530) is 3-[4-(trifluoromethyl)phenyl]-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazole.
What is the SMILES notation for 3-[4-(trifluoromethyl)phenyl]-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazole?
The canonical SMILES for 3-[4-(trifluoromethyl)phenyl]-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazole is FC(F)(F)c1ccc(Cn2ccc(-c3ccc(C(F)(F)F)cc3)n2)cc1.
What is the InChIKey of 3-[4-(trifluoromethyl)phenyl]-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazole?
The InChIKey is WBNMNVGHNIEFTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F6N2/c19-17(20,21)14-5-1-12(2-6-14)11-26-10-9-16(25-26)13-3-7-15(8-4-13)18(22,23)24/h1-10H,11H2.
What are the key properties of 3-[4-(trifluoromethyl)phenyl]-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazole?
3-[4-(trifluoromethyl)phenyl]-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazole has a molecular weight of 370.30 g/mol, XLogP of 5.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(trifluoromethyl)phenyl]-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazole is sourced from PubChem (CID 175294530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).