1-[bis[3-(trifluoromethyl)pyrazol-1-yl]methyl]-3-(trifluoromethyl)pyrazole

C13H7F9N6 — CID 22496861

IUPAC1-[bis[3-(trifluoromethyl)pyrazol-1-yl]methyl]-3-(trifluoromethyl)pyrazole
SMILESFC(F)(F)c1ccn(C(n2ccc(C(F)(F)F)n2)n2ccc(C(F)(F)F)n2)n1
InChIInChI=1S/C13H7F9N6/c14-11(15,16)7-1-4-26(23-7)10(27-5-2-8(24-27)12(17,18)19)28-6-3-9(25-28)13(20,21)22/h1-6,10H
InChIKeyGMFYAYAFLUIDDO-UHFFFAOYSA-N
MW418.22 g/mol
LogP3.89
Rot. Bonds3

About 1-[bis[3-(trifluoromethyl)pyrazol-1-yl]methyl]-3-(trifluoromethyl)pyrazole

1-[bis[3-(trifluoromethyl)pyrazol-1-yl]methyl]-3-(trifluoromethyl)pyrazole (PubChem CID 22496861) has the molecular formula C13H7F9N6 and a molecular weight of 418.22 g/mol. Its IUPAC name is 1-[bis[3-(trifluoromethyl)pyrazol-1-yl]methyl]-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1-[bis[3-(trifluoromethyl)pyrazol-1-yl]methyl]-3-(trifluoromethyl)pyrazole
PubChem CID22496861
Molecular FormulaC13H7F9N6
Molecular Weight418.22 g/mol
Exact Mass418.06
IUPAC Name1-[bis[3-(trifluoromethyl)pyrazol-1-yl]methyl]-3-(trifluoromethyl)pyrazole
SMILESFC(F)(F)c1ccn(C(n2ccc(C(F)(F)F)n2)n2ccc(C(F)(F)F)n2)n1
InChIInChI=1S/C13H7F9N6/c14-11(15,16)7-1-4-26(23-7)10(27-5-2-8(24-27)12(17,18)19)28-6-3-9(25-28)13(20,21)22/h1-6,10H
InChIKeyGMFYAYAFLUIDDO-UHFFFAOYSA-N
XLogP3.89
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.22
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[bis[3-(trifluoromethyl)pyrazol-1-yl]methyl]-3-(trifluoromethyl)pyrazole?
The IUPAC name of 1-[bis[3-(trifluoromethyl)pyrazol-1-yl]methyl]-3-(trifluoromethyl)pyrazole (CID 22496861) is 1-[bis[3-(trifluoromethyl)pyrazol-1-yl]methyl]-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1-[bis[3-(trifluoromethyl)pyrazol-1-yl]methyl]-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 1-[bis[3-(trifluoromethyl)pyrazol-1-yl]methyl]-3-(trifluoromethyl)pyrazole is FC(F)(F)c1ccn(C(n2ccc(C(F)(F)F)n2)n2ccc(C(F)(F)F)n2)n1.
What is the InChIKey of 1-[bis[3-(trifluoromethyl)pyrazol-1-yl]methyl]-3-(trifluoromethyl)pyrazole?
The InChIKey is GMFYAYAFLUIDDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F9N6/c14-11(15,16)7-1-4-26(23-7)10(27-5-2-8(24-27)12(17,18)19)28-6-3-9(25-28)13(20,21)22/h1-6,10H.
What are the key properties of 1-[bis[3-(trifluoromethyl)pyrazol-1-yl]methyl]-3-(trifluoromethyl)pyrazole?
1-[bis[3-(trifluoromethyl)pyrazol-1-yl]methyl]-3-(trifluoromethyl)pyrazole has a molecular weight of 418.22 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis[3-(trifluoromethyl)pyrazol-1-yl]methyl]-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 22496861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).