5-(difluoromethyl)-3-ethoxy-1H-pyrazole

C6H8F2N2O — CID 136576394

IUPAC5-(difluoromethyl)-3-ethoxy-1H-pyrazole
SMILESCCOc1cc(C(F)F)[nH]n1
InChIInChI=1S/C6H8F2N2O/c1-2-11-5-3-4(6(7)8)9-10-5/h3,6H,2H2,1H3,(H,9,10)
InChIKeyVYUTUTJYTQNACV-UHFFFAOYSA-N
MW162.14 g/mol
LogP1.75
Rot. Bonds3

About 5-(difluoromethyl)-3-ethoxy-1H-pyrazole

5-(difluoromethyl)-3-ethoxy-1H-pyrazole (PubChem CID 136576394) has the molecular formula C6H8F2N2O and a molecular weight of 162.14 g/mol. Its IUPAC name is 5-(difluoromethyl)-3-ethoxy-1H-pyrazole.

Molecular Properties

Compound Name5-(difluoromethyl)-3-ethoxy-1H-pyrazole
PubChem CID136576394
Molecular FormulaC6H8F2N2O
Molecular Weight162.14 g/mol
Exact Mass162.06
IUPAC Name5-(difluoromethyl)-3-ethoxy-1H-pyrazole
SMILESCCOc1cc(C(F)F)[nH]n1
InChIInChI=1S/C6H8F2N2O/c1-2-11-5-3-4(6(7)8)9-10-5/h3,6H,2H2,1H3,(H,9,10)
InChIKeyVYUTUTJYTQNACV-UHFFFAOYSA-N
XLogP1.75
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.14
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-3-ethoxy-1H-pyrazole?
The IUPAC name of 5-(difluoromethyl)-3-ethoxy-1H-pyrazole (CID 136576394) is 5-(difluoromethyl)-3-ethoxy-1H-pyrazole.
What is the SMILES notation for 5-(difluoromethyl)-3-ethoxy-1H-pyrazole?
The canonical SMILES for 5-(difluoromethyl)-3-ethoxy-1H-pyrazole is CCOc1cc(C(F)F)[nH]n1.
What is the InChIKey of 5-(difluoromethyl)-3-ethoxy-1H-pyrazole?
The InChIKey is VYUTUTJYTQNACV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2N2O/c1-2-11-5-3-4(6(7)8)9-10-5/h3,6H,2H2,1H3,(H,9,10).
What are the key properties of 5-(difluoromethyl)-3-ethoxy-1H-pyrazole?
5-(difluoromethyl)-3-ethoxy-1H-pyrazole has a molecular weight of 162.14 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-3-ethoxy-1H-pyrazole is sourced from PubChem (CID 136576394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).