4-(difluoromethoxy)-1-ethylpyrazole

C6H8F2N2O — CID 57039471

IUPAC4-(difluoromethoxy)-1-ethylpyrazole
SMILESCCn1cc(OC(F)F)cn1
InChIInChI=1S/C6H8F2N2O/c1-2-10-4-5(3-9-10)11-6(7)8/h3-4,6H,2H2,1H3
InChIKeyHLADTVIWIYQDKF-UHFFFAOYSA-N
MW162.14 g/mol
LogP1.50
Rot. Bonds3

About 4-(difluoromethoxy)-1-ethylpyrazole

4-(difluoromethoxy)-1-ethylpyrazole (PubChem CID 57039471) has the molecular formula C6H8F2N2O and a molecular weight of 162.14 g/mol. Its IUPAC name is 4-(difluoromethoxy)-1-ethylpyrazole.

Molecular Properties

Compound Name4-(difluoromethoxy)-1-ethylpyrazole
PubChem CID57039471
Molecular FormulaC6H8F2N2O
Molecular Weight162.14 g/mol
Exact Mass162.06
IUPAC Name4-(difluoromethoxy)-1-ethylpyrazole
SMILESCCn1cc(OC(F)F)cn1
InChIInChI=1S/C6H8F2N2O/c1-2-10-4-5(3-9-10)11-6(7)8/h3-4,6H,2H2,1H3
InChIKeyHLADTVIWIYQDKF-UHFFFAOYSA-N
XLogP1.50
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 ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Propyl-1H-pyrazol-4-ol
CID 13018410
1-(Propan-2-yl)-1H-pyrazol-4-ol
CID 13018411
1-(2-Methylpropyl)-1H-pyrazol-4-ol
CID 20479038
1-methyl-4-(prop-2-yn-1-yloxy)-1H-pyrazole
CID 116794077
1-(but-2-yn-1-yl)-1H-pyrazol-4-ol
CID 122240485
2-[4-(2,2-difluoroethoxy)-1H-pyrazol-1-yl]acetic acid
CID 138986049
4-Methoxy-1-methyl-1H-pyrazole
CID 12695060
1-(Trifluoromethyl)pyrazol-4-ol
CID 20400069
1-Methyl-4-(trifluoromethoxy)pyrazole
CID 89753546
4-(Difluoromethoxy)-1-methylpyrazole
CID 91217050
1-(2,2-difluoroethyl)-1H-pyrazol-4-ol
CID 116799413
1-Propan-2-yl-4-(2,2,2-trifluoroethoxy)pyrazole
CID 116805248

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-1-ethylpyrazole?
The IUPAC name of 4-(difluoromethoxy)-1-ethylpyrazole (CID 57039471) is 4-(difluoromethoxy)-1-ethylpyrazole.
What is the SMILES notation for 4-(difluoromethoxy)-1-ethylpyrazole?
The canonical SMILES for 4-(difluoromethoxy)-1-ethylpyrazole is CCn1cc(OC(F)F)cn1.
What is the InChIKey of 4-(difluoromethoxy)-1-ethylpyrazole?
The InChIKey is HLADTVIWIYQDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2N2O/c1-2-10-4-5(3-9-10)11-6(7)8/h3-4,6H,2H2,1H3.
What are the key properties of 4-(difluoromethoxy)-1-ethylpyrazole?
4-(difluoromethoxy)-1-ethylpyrazole has a molecular weight of 162.14 g/mol, XLogP of 1.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-1-ethylpyrazole is sourced from PubChem (CID 57039471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).