1-[2,5-bis(trifluoromethyl)phenyl]pyrazole

C11H6F6N2 — CID 91450288

IUPAC1-[2,5-bis(trifluoromethyl)phenyl]pyrazole
SMILESFC(F)(F)c1ccc(C(F)(F)F)c(-n2cccn2)c1
InChIInChI=1S/C11H6F6N2/c12-10(13,14)7-2-3-8(11(15,16)17)9(6-7)19-5-1-4-18-19/h1-6H
InChIKeyZSIVFXGUXJSJBU-UHFFFAOYSA-N
MW280.17 g/mol
LogP3.91
Rot. Bonds1

About 1-[2,5-bis(trifluoromethyl)phenyl]pyrazole

1-[2,5-bis(trifluoromethyl)phenyl]pyrazole (PubChem CID 91450288) has the molecular formula C11H6F6N2 and a molecular weight of 280.17 g/mol. Its IUPAC name is 1-[2,5-bis(trifluoromethyl)phenyl]pyrazole.

Molecular Properties

Compound Name1-[2,5-bis(trifluoromethyl)phenyl]pyrazole
PubChem CID91450288
Molecular FormulaC11H6F6N2
Molecular Weight280.17 g/mol
Exact Mass280.04
IUPAC Name1-[2,5-bis(trifluoromethyl)phenyl]pyrazole
SMILESFC(F)(F)c1ccc(C(F)(F)F)c(-n2cccn2)c1
InChIInChI=1S/C11H6F6N2/c12-10(13,14)7-2-3-8(11(15,16)17)9(6-7)19-5-1-4-18-19/h1-6H
InChIKeyZSIVFXGUXJSJBU-UHFFFAOYSA-N
XLogP3.91
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.17
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Phenylpyrazole
CID 70769
4-(1H-pyrazol-1-ylmethyl)aniline
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1-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-ol
CID 2783031
1-[2-(1H-pyrazol-1-yl)phenyl]methanamine
CID 7015036
5-(4-Fluorophenyl)-1-phenyl-1H-pyrazole
CID 2768365
1-p-Tolyl-1H-pyrazole
CID 809797
2H-Indazole, 2-(3-fluorophenyl)-
CID 3067340
3-(1H-Pyrazol-1-yl)benzonitrile
CID 7164581
4-Pyrazol-1-YL-benzylamine
CID 2776483
2-(1H-pyrazol-1-yl)-5-(trifluoromethyl)aniline
CID 7064033
2-(1H-pyrazol-1-yl)benzonitrile
CID 7164558
4-(1-Pyrazolyl)benzonitrile
CID 12079629

Frequently Asked Questions

What is the IUPAC name of 1-[2,5-bis(trifluoromethyl)phenyl]pyrazole?
The IUPAC name of 1-[2,5-bis(trifluoromethyl)phenyl]pyrazole (CID 91450288) is 1-[2,5-bis(trifluoromethyl)phenyl]pyrazole.
What is the SMILES notation for 1-[2,5-bis(trifluoromethyl)phenyl]pyrazole?
The canonical SMILES for 1-[2,5-bis(trifluoromethyl)phenyl]pyrazole is FC(F)(F)c1ccc(C(F)(F)F)c(-n2cccn2)c1.
What is the InChIKey of 1-[2,5-bis(trifluoromethyl)phenyl]pyrazole?
The InChIKey is ZSIVFXGUXJSJBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F6N2/c12-10(13,14)7-2-3-8(11(15,16)17)9(6-7)19-5-1-4-18-19/h1-6H.
What are the key properties of 1-[2,5-bis(trifluoromethyl)phenyl]pyrazole?
1-[2,5-bis(trifluoromethyl)phenyl]pyrazole has a molecular weight of 280.17 g/mol, XLogP of 3.91, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,5-bis(trifluoromethyl)phenyl]pyrazole is sourced from PubChem (CID 91450288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).