4-[[4-(difluoromethyl)phenyl]methoxy]-1-ethylpyrazole

C13H14F2N2O — CID 99839136

IUPAC4-[[4-(difluoromethyl)phenyl]methoxy]-1-ethylpyrazole
SMILESCCn1cc(OCc2ccc(C(F)F)cc2)cn1
InChIInChI=1S/C13H14F2N2O/c1-2-17-8-12(7-16-17)18-9-10-3-5-11(6-4-10)13(14)15/h3-8,13H,2,9H2,1H3
InChIKeyGGBMKNKJDLTYML-UHFFFAOYSA-N
MW252.26 g/mol
LogP3.42
Rot. Bonds5

About 4-[[4-(difluoromethyl)phenyl]methoxy]-1-ethylpyrazole

4-[[4-(difluoromethyl)phenyl]methoxy]-1-ethylpyrazole (PubChem CID 99839136) has the molecular formula C13H14F2N2O and a molecular weight of 252.26 g/mol. Its IUPAC name is 4-[[4-(difluoromethyl)phenyl]methoxy]-1-ethylpyrazole.

Molecular Properties

Compound Name4-[[4-(difluoromethyl)phenyl]methoxy]-1-ethylpyrazole
PubChem CID99839136
Molecular FormulaC13H14F2N2O
Molecular Weight252.26 g/mol
Exact Mass252.11
IUPAC Name4-[[4-(difluoromethyl)phenyl]methoxy]-1-ethylpyrazole
SMILESCCn1cc(OCc2ccc(C(F)F)cc2)cn1
InChIInChI=1S/C13H14F2N2O/c1-2-17-8-12(7-16-17)18-9-10-3-5-11(6-4-10)13(14)15/h3-8,13H,2,9H2,1H3
InChIKeyGGBMKNKJDLTYML-UHFFFAOYSA-N
XLogP3.42
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.26
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(difluoromethyl)phenyl]methoxy]-1-ethylpyrazole?
The IUPAC name of 4-[[4-(difluoromethyl)phenyl]methoxy]-1-ethylpyrazole (CID 99839136) is 4-[[4-(difluoromethyl)phenyl]methoxy]-1-ethylpyrazole.
What is the SMILES notation for 4-[[4-(difluoromethyl)phenyl]methoxy]-1-ethylpyrazole?
The canonical SMILES for 4-[[4-(difluoromethyl)phenyl]methoxy]-1-ethylpyrazole is CCn1cc(OCc2ccc(C(F)F)cc2)cn1.
What is the InChIKey of 4-[[4-(difluoromethyl)phenyl]methoxy]-1-ethylpyrazole?
The InChIKey is GGBMKNKJDLTYML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2O/c1-2-17-8-12(7-16-17)18-9-10-3-5-11(6-4-10)13(14)15/h3-8,13H,2,9H2,1H3.
What are the key properties of 4-[[4-(difluoromethyl)phenyl]methoxy]-1-ethylpyrazole?
4-[[4-(difluoromethyl)phenyl]methoxy]-1-ethylpyrazole has a molecular weight of 252.26 g/mol, XLogP of 3.42, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(difluoromethyl)phenyl]methoxy]-1-ethylpyrazole is sourced from PubChem (CID 99839136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).