4-(difluoromethoxy)-1H-pyrazole

C4H4F2N2O — CID 19993707

IUPAC4-(difluoromethoxy)-1H-pyrazole
SMILESFC(F)Oc1cn[nH]c1
InChIInChI=1S/C4H4F2N2O/c5-4(6)9-3-1-7-8-2-3/h1-2,4H,(H,7,8)
InChIKeyIVNXAHIKUSLXSU-UHFFFAOYSA-N
MW134.09 g/mol
LogP1.01
Rot. Bonds2

About 4-(difluoromethoxy)-1H-pyrazole

4-(difluoromethoxy)-1H-pyrazole (PubChem CID 19993707) has the molecular formula C4H4F2N2O and a molecular weight of 134.09 g/mol. Its IUPAC name is 4-(difluoromethoxy)-1H-pyrazole.

Molecular Properties

Compound Name4-(difluoromethoxy)-1H-pyrazole
PubChem CID19993707
Molecular FormulaC4H4F2N2O
Molecular Weight134.09 g/mol
Exact Mass134.03
IUPAC Name4-(difluoromethoxy)-1H-pyrazole
SMILESFC(F)Oc1cn[nH]c1
InChIInChI=1S/C4H4F2N2O/c5-4(6)9-3-1-7-8-2-3/h1-2,4H,(H,7,8)
InChIKeyIVNXAHIKUSLXSU-UHFFFAOYSA-N
XLogP1.01
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.09
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-1H-pyrazole?
The IUPAC name of 4-(difluoromethoxy)-1H-pyrazole (CID 19993707) is 4-(difluoromethoxy)-1H-pyrazole.
What is the SMILES notation for 4-(difluoromethoxy)-1H-pyrazole?
The canonical SMILES for 4-(difluoromethoxy)-1H-pyrazole is FC(F)Oc1cn[nH]c1.
What is the InChIKey of 4-(difluoromethoxy)-1H-pyrazole?
The InChIKey is IVNXAHIKUSLXSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F2N2O/c5-4(6)9-3-1-7-8-2-3/h1-2,4H,(H,7,8).
What are the key properties of 4-(difluoromethoxy)-1H-pyrazole?
4-(difluoromethoxy)-1H-pyrazole has a molecular weight of 134.09 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-1H-pyrazole is sourced from PubChem (CID 19993707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).