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

C6H8F2N2 — CID 23006210

IUPAC3-(difluoromethyl)-5-ethyl-1H-pyrazole
SMILESCCc1cc(C(F)F)n[nH]1
InChIInChI=1S/C6H8F2N2/c1-2-4-3-5(6(7)8)10-9-4/h3,6H,2H2,1H3,(H,9,10)
InChIKeyWYRMXABGUVXBGR-UHFFFAOYSA-N
MW146.14 g/mol
LogP1.91
Rot. Bonds2

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

3-(difluoromethyl)-5-ethyl-1H-pyrazole (PubChem CID 23006210) has the molecular formula C6H8F2N2 and a molecular weight of 146.14 g/mol. Its IUPAC name is 3-(difluoromethyl)-5-ethyl-1H-pyrazole.

Molecular Properties

Compound Name3-(difluoromethyl)-5-ethyl-1H-pyrazole
PubChem CID23006210
Molecular FormulaC6H8F2N2
Molecular Weight146.14 g/mol
Exact Mass146.07
IUPAC Name3-(difluoromethyl)-5-ethyl-1H-pyrazole
SMILESCCc1cc(C(F)F)n[nH]1
InChIInChI=1S/C6H8F2N2/c1-2-4-3-5(6(7)8)10-9-4/h3,6H,2H2,1H3,(H,9,10)
InChIKeyWYRMXABGUVXBGR-UHFFFAOYSA-N
XLogP1.91
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.14
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-5-ethyl-1H-pyrazole?
The IUPAC name of 3-(difluoromethyl)-5-ethyl-1H-pyrazole (CID 23006210) is 3-(difluoromethyl)-5-ethyl-1H-pyrazole.
What is the SMILES notation for 3-(difluoromethyl)-5-ethyl-1H-pyrazole?
The canonical SMILES for 3-(difluoromethyl)-5-ethyl-1H-pyrazole is CCc1cc(C(F)F)n[nH]1.
What is the InChIKey of 3-(difluoromethyl)-5-ethyl-1H-pyrazole?
The InChIKey is WYRMXABGUVXBGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2N2/c1-2-4-3-5(6(7)8)10-9-4/h3,6H,2H2,1H3,(H,9,10).
What are the key properties of 3-(difluoromethyl)-5-ethyl-1H-pyrazole?
3-(difluoromethyl)-5-ethyl-1H-pyrazole has a molecular weight of 146.14 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-5-ethyl-1H-pyrazole is sourced from PubChem (CID 23006210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).