1-(difluoromethyl)-3-(methoxymethyl)pyrazole

C6H8F2N2O — CID 122170447

IUPAC1-(difluoromethyl)-3-(methoxymethyl)pyrazole
SMILESCOCc1ccn(C(F)F)n1
InChIInChI=1S/C6H8F2N2O/c1-11-4-5-2-3-10(9-5)6(7)8/h2-3,6H,4H2,1H3
InChIKeyWHKTYDSDOXFTRD-UHFFFAOYSA-N
MW162.14 g/mol
LogP1.42
Rot. Bonds3

About 1-(difluoromethyl)-3-(methoxymethyl)pyrazole

1-(difluoromethyl)-3-(methoxymethyl)pyrazole (PubChem CID 122170447) has the molecular formula C6H8F2N2O and a molecular weight of 162.14 g/mol. Its IUPAC name is 1-(difluoromethyl)-3-(methoxymethyl)pyrazole.

Molecular Properties

Compound Name1-(difluoromethyl)-3-(methoxymethyl)pyrazole
PubChem CID122170447
Molecular FormulaC6H8F2N2O
Molecular Weight162.14 g/mol
Exact Mass162.06
IUPAC Name1-(difluoromethyl)-3-(methoxymethyl)pyrazole
SMILESCOCc1ccn(C(F)F)n1
InChIInChI=1S/C6H8F2N2O/c1-11-4-5-2-3-10(9-5)6(7)8/h2-3,6H,4H2,1H3
InChIKeyWHKTYDSDOXFTRD-UHFFFAOYSA-N
XLogP1.42
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.14
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-3-(methoxymethyl)pyrazole?
The IUPAC name of 1-(difluoromethyl)-3-(methoxymethyl)pyrazole (CID 122170447) is 1-(difluoromethyl)-3-(methoxymethyl)pyrazole.
What is the SMILES notation for 1-(difluoromethyl)-3-(methoxymethyl)pyrazole?
The canonical SMILES for 1-(difluoromethyl)-3-(methoxymethyl)pyrazole is COCc1ccn(C(F)F)n1.
What is the InChIKey of 1-(difluoromethyl)-3-(methoxymethyl)pyrazole?
The InChIKey is WHKTYDSDOXFTRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2N2O/c1-11-4-5-2-3-10(9-5)6(7)8/h2-3,6H,4H2,1H3.
What are the key properties of 1-(difluoromethyl)-3-(methoxymethyl)pyrazole?
1-(difluoromethyl)-3-(methoxymethyl)pyrazole has a molecular weight of 162.14 g/mol, XLogP of 1.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-3-(methoxymethyl)pyrazole is sourced from PubChem (CID 122170447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).