1-[2-(difluoromethyl)phenyl]-5-(1-methoxyethyl)pyrazole

C13H14F2N2O — CID 90936514

IUPAC1-[2-(difluoromethyl)phenyl]-5-(1-methoxyethyl)pyrazole
SMILESCOC(C)c1ccnn1-c1ccccc1C(F)F
InChIInChI=1S/C13H14F2N2O/c1-9(18-2)11-7-8-16-17(11)12-6-4-3-5-10(12)13(14)15/h3-9,13H,1-2H3
InChIKeyDEODHOIWBYSECZ-UHFFFAOYSA-N
MW252.26 g/mol
LogP3.52
Rot. Bonds4

About 1-[2-(difluoromethyl)phenyl]-5-(1-methoxyethyl)pyrazole

1-[2-(difluoromethyl)phenyl]-5-(1-methoxyethyl)pyrazole (PubChem CID 90936514) has the molecular formula C13H14F2N2O and a molecular weight of 252.26 g/mol. Its IUPAC name is 1-[2-(difluoromethyl)phenyl]-5-(1-methoxyethyl)pyrazole.

Molecular Properties

Compound Name1-[2-(difluoromethyl)phenyl]-5-(1-methoxyethyl)pyrazole
PubChem CID90936514
Molecular FormulaC13H14F2N2O
Molecular Weight252.26 g/mol
Exact Mass252.11
IUPAC Name1-[2-(difluoromethyl)phenyl]-5-(1-methoxyethyl)pyrazole
SMILESCOC(C)c1ccnn1-c1ccccc1C(F)F
InChIInChI=1S/C13H14F2N2O/c1-9(18-2)11-7-8-16-17(11)12-6-4-3-5-10(12)13(14)15/h3-9,13H,1-2H3
InChIKeyDEODHOIWBYSECZ-UHFFFAOYSA-N
XLogP3.52
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.26
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethyl)phenyl]-5-(1-methoxyethyl)pyrazole?
The IUPAC name of 1-[2-(difluoromethyl)phenyl]-5-(1-methoxyethyl)pyrazole (CID 90936514) is 1-[2-(difluoromethyl)phenyl]-5-(1-methoxyethyl)pyrazole.
What is the SMILES notation for 1-[2-(difluoromethyl)phenyl]-5-(1-methoxyethyl)pyrazole?
The canonical SMILES for 1-[2-(difluoromethyl)phenyl]-5-(1-methoxyethyl)pyrazole is COC(C)c1ccnn1-c1ccccc1C(F)F.
What is the InChIKey of 1-[2-(difluoromethyl)phenyl]-5-(1-methoxyethyl)pyrazole?
The InChIKey is DEODHOIWBYSECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2O/c1-9(18-2)11-7-8-16-17(11)12-6-4-3-5-10(12)13(14)15/h3-9,13H,1-2H3.
What are the key properties of 1-[2-(difluoromethyl)phenyl]-5-(1-methoxyethyl)pyrazole?
1-[2-(difluoromethyl)phenyl]-5-(1-methoxyethyl)pyrazole has a molecular weight of 252.26 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethyl)phenyl]-5-(1-methoxyethyl)pyrazole is sourced from PubChem (CID 90936514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).