1-(difluoromethyl)-3-ethyl-5-methoxypyrazole

C7H10F2N2O — CID 176699199

IUPAC1-(difluoromethyl)-3-ethyl-5-methoxypyrazole
SMILESCCc1cc(OC)n(C(F)F)n1
InChIInChI=1S/C7H10F2N2O/c1-3-5-4-6(12-2)11(10-5)7(8)9/h4,7H,3H2,1-2H3
InChIKeyCVCPIARLJPUEQJ-UHFFFAOYSA-N
MW176.17 g/mol
LogP1.85
Rot. Bonds3

About 1-(difluoromethyl)-3-ethyl-5-methoxypyrazole

1-(difluoromethyl)-3-ethyl-5-methoxypyrazole (PubChem CID 176699199) has the molecular formula C7H10F2N2O and a molecular weight of 176.17 g/mol. Its IUPAC name is 1-(difluoromethyl)-3-ethyl-5-methoxypyrazole.

Molecular Properties

Compound Name1-(difluoromethyl)-3-ethyl-5-methoxypyrazole
PubChem CID176699199
Molecular FormulaC7H10F2N2O
Molecular Weight176.17 g/mol
Exact Mass176.08
IUPAC Name1-(difluoromethyl)-3-ethyl-5-methoxypyrazole
SMILESCCc1cc(OC)n(C(F)F)n1
InChIInChI=1S/C7H10F2N2O/c1-3-5-4-6(12-2)11(10-5)7(8)9/h4,7H,3H2,1-2H3
InChIKeyCVCPIARLJPUEQJ-UHFFFAOYSA-N
XLogP1.85
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-3-ethyl-5-methoxypyrazole?
The IUPAC name of 1-(difluoromethyl)-3-ethyl-5-methoxypyrazole (CID 176699199) is 1-(difluoromethyl)-3-ethyl-5-methoxypyrazole.
What is the SMILES notation for 1-(difluoromethyl)-3-ethyl-5-methoxypyrazole?
The canonical SMILES for 1-(difluoromethyl)-3-ethyl-5-methoxypyrazole is CCc1cc(OC)n(C(F)F)n1.
What is the InChIKey of 1-(difluoromethyl)-3-ethyl-5-methoxypyrazole?
The InChIKey is CVCPIARLJPUEQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2N2O/c1-3-5-4-6(12-2)11(10-5)7(8)9/h4,7H,3H2,1-2H3.
What are the key properties of 1-(difluoromethyl)-3-ethyl-5-methoxypyrazole?
1-(difluoromethyl)-3-ethyl-5-methoxypyrazole has a molecular weight of 176.17 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-3-ethyl-5-methoxypyrazole is sourced from PubChem (CID 176699199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).