3,5-bis(trifluoromethyl)-1-[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-[3-(trifluoromethyl)-1H-pyrazol-5-yl]ethyl]pyrazole

C15H8F12N6 — CID 87699093

IUPAC3,5-bis(trifluoromethyl)-1-[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-[3-(trifluoromethyl)-1H-pyrazol-5-yl]ethyl]pyrazole
SMILESFC(F)(F)c1cc(C(Cn2nc(C(F)(F)F)cc2C(F)(F)F)c2ncc(C(F)(F)F)[nH]2)[nH]n1
InChIInChI=1S/C15H8F12N6/c16-12(17,18)7-1-6(30-31-7)5(11-28-3-9(29-11)14(22,23)24)4-33-10(15(25,26)27)2-8(32-33)13(19,20)21/h1-3,5H,4H2,(H,28,29)(H,30,31)
InChIKeyVOPVGPIVPJEJRP-UHFFFAOYSA-N
MW500.25 g/mol
LogP5.24
Rot. Bonds4

About 3,5-bis(trifluoromethyl)-1-[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-[3-(trifluoromethyl)-1H-pyrazol-5-yl]ethyl]pyrazole

3,5-bis(trifluoromethyl)-1-[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-[3-(trifluoromethyl)-1H-pyrazol-5-yl]ethyl]pyrazole (PubChem CID 87699093) has the molecular formula C15H8F12N6 and a molecular weight of 500.25 g/mol. Its IUPAC name is 3,5-bis(trifluoromethyl)-1-[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-[3-(trifluoromethyl)-1H-pyrazol-5-yl]ethyl]pyrazole.

Molecular Properties

Compound Name3,5-bis(trifluoromethyl)-1-[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-[3-(trifluoromethyl)-1H-pyrazol-5-yl]ethyl]pyrazole
PubChem CID87699093
Molecular FormulaC15H8F12N6
Molecular Weight500.25 g/mol
Exact Mass500.06
IUPAC Name3,5-bis(trifluoromethyl)-1-[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-[3-(trifluoromethyl)-1H-pyrazol-5-yl]ethyl]pyrazole
SMILESFC(F)(F)c1cc(C(Cn2nc(C(F)(F)F)cc2C(F)(F)F)c2ncc(C(F)(F)F)[nH]2)[nH]n1
InChIInChI=1S/C15H8F12N6/c16-12(17,18)7-1-6(30-31-7)5(11-28-3-9(29-11)14(22,23)24)4-33-10(15(25,26)27)2-8(32-33)13(19,20)21/h1-3,5H,4H2,(H,28,29)(H,30,31)
InChIKeyVOPVGPIVPJEJRP-UHFFFAOYSA-N
XLogP5.24
TPSA75.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.25
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-bis(trifluoromethyl)-1-[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-[3-(trifluoromethyl)-1H-pyrazol-5-yl]ethyl]pyrazole?
The IUPAC name of 3,5-bis(trifluoromethyl)-1-[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-[3-(trifluoromethyl)-1H-pyrazol-5-yl]ethyl]pyrazole (CID 87699093) is 3,5-bis(trifluoromethyl)-1-[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-[3-(trifluoromethyl)-1H-pyrazol-5-yl]ethyl]pyrazole.
What is the SMILES notation for 3,5-bis(trifluoromethyl)-1-[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-[3-(trifluoromethyl)-1H-pyrazol-5-yl]ethyl]pyrazole?
The canonical SMILES for 3,5-bis(trifluoromethyl)-1-[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-[3-(trifluoromethyl)-1H-pyrazol-5-yl]ethyl]pyrazole is FC(F)(F)c1cc(C(Cn2nc(C(F)(F)F)cc2C(F)(F)F)c2ncc(C(F)(F)F)[nH]2)[nH]n1.
What is the InChIKey of 3,5-bis(trifluoromethyl)-1-[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-[3-(trifluoromethyl)-1H-pyrazol-5-yl]ethyl]pyrazole?
The InChIKey is VOPVGPIVPJEJRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F12N6/c16-12(17,18)7-1-6(30-31-7)5(11-28-3-9(29-11)14(22,23)24)4-33-10(15(25,26)27)2-8(32-33)13(19,20)21/h1-3,5H,4H2,(H,28,29)(H,30,31).
What are the key properties of 3,5-bis(trifluoromethyl)-1-[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-[3-(trifluoromethyl)-1H-pyrazol-5-yl]ethyl]pyrazole?
3,5-bis(trifluoromethyl)-1-[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-[3-(trifluoromethyl)-1H-pyrazol-5-yl]ethyl]pyrazole has a molecular weight of 500.25 g/mol, XLogP of 5.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(trifluoromethyl)-1-[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-[3-(trifluoromethyl)-1H-pyrazol-5-yl]ethyl]pyrazole is sourced from PubChem (CID 87699093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).