1-(difluoromethyl)-3-methoxypyrazole

C5H6F2N2O — CID 131166368

IUPAC1-(difluoromethyl)-3-methoxypyrazole
SMILESCOc1ccn(C(F)F)n1
InChIInChI=1S/C5H6F2N2O/c1-10-4-2-3-9(8-4)5(6)7/h2-3,5H,1H3
InChIKeyKLODJEPMNSATCJ-UHFFFAOYSA-N
MW148.11 g/mol
LogP1.29
Rot. Bonds2

About 1-(difluoromethyl)-3-methoxypyrazole

1-(difluoromethyl)-3-methoxypyrazole (PubChem CID 131166368) has the molecular formula C5H6F2N2O and a molecular weight of 148.11 g/mol. Its IUPAC name is 1-(difluoromethyl)-3-methoxypyrazole.

Molecular Properties

Compound Name1-(difluoromethyl)-3-methoxypyrazole
PubChem CID131166368
Molecular FormulaC5H6F2N2O
Molecular Weight148.11 g/mol
Exact Mass148.04
IUPAC Name1-(difluoromethyl)-3-methoxypyrazole
SMILESCOc1ccn(C(F)F)n1
InChIInChI=1S/C5H6F2N2O/c1-10-4-2-3-9(8-4)5(6)7/h2-3,5H,1H3
InChIKeyKLODJEPMNSATCJ-UHFFFAOYSA-N
XLogP1.29
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.11
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-3-methoxypyrazole?
The IUPAC name of 1-(difluoromethyl)-3-methoxypyrazole (CID 131166368) is 1-(difluoromethyl)-3-methoxypyrazole.
What is the SMILES notation for 1-(difluoromethyl)-3-methoxypyrazole?
The canonical SMILES for 1-(difluoromethyl)-3-methoxypyrazole is COc1ccn(C(F)F)n1.
What is the InChIKey of 1-(difluoromethyl)-3-methoxypyrazole?
The InChIKey is KLODJEPMNSATCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F2N2O/c1-10-4-2-3-9(8-4)5(6)7/h2-3,5H,1H3.
What are the key properties of 1-(difluoromethyl)-3-methoxypyrazole?
1-(difluoromethyl)-3-methoxypyrazole has a molecular weight of 148.11 g/mol, XLogP of 1.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-3-methoxypyrazole is sourced from PubChem (CID 131166368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).