5-(difluoromethoxy)-4-(trifluoromethyl)-1H-pyrazole

C5H3F5N2O — CID 170564789

IUPAC5-(difluoromethoxy)-4-(trifluoromethyl)-1H-pyrazole
SMILESFC(F)Oc1[nH]ncc1C(F)(F)F
InChIInChI=1S/C5H3F5N2O/c6-4(7)13-3-2(1-11-12-3)5(8,9)10/h1,4H,(H,11,12)
InChIKeyUUZLKHLHFUPUNM-UHFFFAOYSA-N
MW202.08 g/mol
LogP2.03
Rot. Bonds2

About 5-(difluoromethoxy)-4-(trifluoromethyl)-1H-pyrazole

5-(difluoromethoxy)-4-(trifluoromethyl)-1H-pyrazole (PubChem CID 170564789) has the molecular formula C5H3F5N2O and a molecular weight of 202.08 g/mol. Its IUPAC name is 5-(difluoromethoxy)-4-(trifluoromethyl)-1H-pyrazole.

Molecular Properties

Compound Name5-(difluoromethoxy)-4-(trifluoromethyl)-1H-pyrazole
PubChem CID170564789
Molecular FormulaC5H3F5N2O
Molecular Weight202.08 g/mol
Exact Mass202.02
IUPAC Name5-(difluoromethoxy)-4-(trifluoromethyl)-1H-pyrazole
SMILESFC(F)Oc1[nH]ncc1C(F)(F)F
InChIInChI=1S/C5H3F5N2O/c6-4(7)13-3-2(1-11-12-3)5(8,9)10/h1,4H,(H,11,12)
InChIKeyUUZLKHLHFUPUNM-UHFFFAOYSA-N
XLogP2.03
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.08
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethoxy)-4-(trifluoromethyl)-1H-pyrazole?
The IUPAC name of 5-(difluoromethoxy)-4-(trifluoromethyl)-1H-pyrazole (CID 170564789) is 5-(difluoromethoxy)-4-(trifluoromethyl)-1H-pyrazole.
What is the SMILES notation for 5-(difluoromethoxy)-4-(trifluoromethyl)-1H-pyrazole?
The canonical SMILES for 5-(difluoromethoxy)-4-(trifluoromethyl)-1H-pyrazole is FC(F)Oc1[nH]ncc1C(F)(F)F.
What is the InChIKey of 5-(difluoromethoxy)-4-(trifluoromethyl)-1H-pyrazole?
The InChIKey is UUZLKHLHFUPUNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F5N2O/c6-4(7)13-3-2(1-11-12-3)5(8,9)10/h1,4H,(H,11,12).
What are the key properties of 5-(difluoromethoxy)-4-(trifluoromethyl)-1H-pyrazole?
5-(difluoromethoxy)-4-(trifluoromethyl)-1H-pyrazole has a molecular weight of 202.08 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethoxy)-4-(trifluoromethyl)-1H-pyrazole is sourced from PubChem (CID 170564789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).