3,5-bis(difluoromethyl)-1-ethylpyrazole

C7H8F4N2 — CID 118971783

IUPAC3,5-bis(difluoromethyl)-1-ethylpyrazole
SMILESCCn1nc(C(F)F)cc1C(F)F
InChIInChI=1S/C7H8F4N2/c1-2-13-5(7(10)11)3-4(12-13)6(8)9/h3,6-7H,2H2,1H3
InChIKeyCQGIHQOTONFFLJ-UHFFFAOYSA-N
MW196.15 g/mol
LogP2.78
Rot. Bonds3

About 3,5-bis(difluoromethyl)-1-ethylpyrazole

3,5-bis(difluoromethyl)-1-ethylpyrazole (PubChem CID 118971783) has the molecular formula C7H8F4N2 and a molecular weight of 196.15 g/mol. Its IUPAC name is 3,5-bis(difluoromethyl)-1-ethylpyrazole.

Molecular Properties

Compound Name3,5-bis(difluoromethyl)-1-ethylpyrazole
PubChem CID118971783
Molecular FormulaC7H8F4N2
Molecular Weight196.15 g/mol
Exact Mass196.06
IUPAC Name3,5-bis(difluoromethyl)-1-ethylpyrazole
SMILESCCn1nc(C(F)F)cc1C(F)F
InChIInChI=1S/C7H8F4N2/c1-2-13-5(7(10)11)3-4(12-13)6(8)9/h3,6-7H,2H2,1H3
InChIKeyCQGIHQOTONFFLJ-UHFFFAOYSA-N
XLogP2.78
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.15
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-Dimethylpyrazol-1-methanol
CID 96393
(1,3-Dimethyl-1H-pyrazol-5-yl)methanamine
CID 1257670
1-Allyl-3,5-dimethylpyrazole
CID 25930
2-(3,5-Dimethyl-1H-pyrazol-1-yl)ethan-1-ol
CID 259665
2-(3,5-dimethyl-1H-pyrazol-1-yl)ethan-1-amine
CID 1091687
3-(3,5-Dimethyl-1H-pyrazol-1-yl)propan-1-amine
CID 2056783
1,3,5-Trimethylpyrazole
CID 14081
1,2-Bis(3,5-dimethylpyrazol-1-yl)ethane
CID 661322
(1,5-dimethyl-1H-pyrazol-3-yl)methanamine
CID 2776367
3,5-dimethyl-1-octyl-1H-pyrazole
CID 573081
1,5-Dimethyl-3-(trifluoromethyl)pyrazole
CID 12747525
1,1'-(2-butene-1,4-diyl)bis(3,5-dimethyl-1H-pyrazole)
CID 2055740

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(difluoromethyl)-1-ethylpyrazole?
The IUPAC name of 3,5-bis(difluoromethyl)-1-ethylpyrazole (CID 118971783) is 3,5-bis(difluoromethyl)-1-ethylpyrazole.
What is the SMILES notation for 3,5-bis(difluoromethyl)-1-ethylpyrazole?
The canonical SMILES for 3,5-bis(difluoromethyl)-1-ethylpyrazole is CCn1nc(C(F)F)cc1C(F)F.
What is the InChIKey of 3,5-bis(difluoromethyl)-1-ethylpyrazole?
The InChIKey is CQGIHQOTONFFLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F4N2/c1-2-13-5(7(10)11)3-4(12-13)6(8)9/h3,6-7H,2H2,1H3.
What are the key properties of 3,5-bis(difluoromethyl)-1-ethylpyrazole?
3,5-bis(difluoromethyl)-1-ethylpyrazole has a molecular weight of 196.15 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(difluoromethyl)-1-ethylpyrazole is sourced from PubChem (CID 118971783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).