3-chloro-5-(trifluoromethyl)-1-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]oxymethyl]pyrazole

C9H5ClF6N4O — CID 91596857

IUPAC3-chloro-5-(trifluoromethyl)-1-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]oxymethyl]pyrazole
SMILESFC(F)(F)c1cc(OCn2nc(Cl)cc2C(F)(F)F)n[nH]1
InChIInChI=1S/C9H5ClF6N4O/c10-6-2-5(9(14,15)16)20(19-6)3-21-7-1-4(17-18-7)8(11,12)13/h1-2H,3H2,(H,17,18)
InChIKeyRTXLUEHWWBJSII-UHFFFAOYSA-N
MW334.61 g/mol
LogP3.33
Rot. Bonds3

About 3-chloro-5-(trifluoromethyl)-1-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]oxymethyl]pyrazole

3-chloro-5-(trifluoromethyl)-1-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]oxymethyl]pyrazole (PubChem CID 91596857) has the molecular formula C9H5ClF6N4O and a molecular weight of 334.61 g/mol. Its IUPAC name is 3-chloro-5-(trifluoromethyl)-1-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]oxymethyl]pyrazole.

Molecular Properties

Compound Name3-chloro-5-(trifluoromethyl)-1-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]oxymethyl]pyrazole
PubChem CID91596857
Molecular FormulaC9H5ClF6N4O
Molecular Weight334.61 g/mol
Exact Mass334.01
IUPAC Name3-chloro-5-(trifluoromethyl)-1-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]oxymethyl]pyrazole
SMILESFC(F)(F)c1cc(OCn2nc(Cl)cc2C(F)(F)F)n[nH]1
InChIInChI=1S/C9H5ClF6N4O/c10-6-2-5(9(14,15)16)20(19-6)3-21-7-1-4(17-18-7)8(11,12)13/h1-2H,3H2,(H,17,18)
InChIKeyRTXLUEHWWBJSII-UHFFFAOYSA-N
XLogP3.33
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.61
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(trifluoromethyl)-1-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]oxymethyl]pyrazole?
The IUPAC name of 3-chloro-5-(trifluoromethyl)-1-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]oxymethyl]pyrazole (CID 91596857) is 3-chloro-5-(trifluoromethyl)-1-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]oxymethyl]pyrazole.
What is the SMILES notation for 3-chloro-5-(trifluoromethyl)-1-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]oxymethyl]pyrazole?
The canonical SMILES for 3-chloro-5-(trifluoromethyl)-1-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]oxymethyl]pyrazole is FC(F)(F)c1cc(OCn2nc(Cl)cc2C(F)(F)F)n[nH]1.
What is the InChIKey of 3-chloro-5-(trifluoromethyl)-1-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]oxymethyl]pyrazole?
The InChIKey is RTXLUEHWWBJSII-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClF6N4O/c10-6-2-5(9(14,15)16)20(19-6)3-21-7-1-4(17-18-7)8(11,12)13/h1-2H,3H2,(H,17,18).
What are the key properties of 3-chloro-5-(trifluoromethyl)-1-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]oxymethyl]pyrazole?
3-chloro-5-(trifluoromethyl)-1-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]oxymethyl]pyrazole has a molecular weight of 334.61 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(trifluoromethyl)-1-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]oxymethyl]pyrazole is sourced from PubChem (CID 91596857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).