4-(2,2-difluoroethoxy)-1,3-diethylpyrazole

C9H14F2N2O — CID 174849959

IUPAC4-(2,2-difluoroethoxy)-1,3-diethylpyrazole
SMILESCCc1nn(CC)cc1OCC(F)F
InChIInChI=1S/C9H14F2N2O/c1-3-7-8(14-6-9(10)11)5-13(4-2)12-7/h5,9H,3-4,6H2,1-2H3
InChIKeyLZKDKZCONLPIJW-UHFFFAOYSA-N
MW204.22 g/mol
LogP2.11
Rot. Bonds5

About 4-(2,2-difluoroethoxy)-1,3-diethylpyrazole

4-(2,2-difluoroethoxy)-1,3-diethylpyrazole (PubChem CID 174849959) has the molecular formula C9H14F2N2O and a molecular weight of 204.22 g/mol. Its IUPAC name is 4-(2,2-difluoroethoxy)-1,3-diethylpyrazole.

Molecular Properties

Compound Name4-(2,2-difluoroethoxy)-1,3-diethylpyrazole
PubChem CID174849959
Molecular FormulaC9H14F2N2O
Molecular Weight204.22 g/mol
Exact Mass204.11
IUPAC Name4-(2,2-difluoroethoxy)-1,3-diethylpyrazole
SMILESCCc1nn(CC)cc1OCC(F)F
InChIInChI=1S/C9H14F2N2O/c1-3-7-8(14-6-9(10)11)5-13(4-2)12-7/h5,9H,3-4,6H2,1-2H3
InChIKeyLZKDKZCONLPIJW-UHFFFAOYSA-N
XLogP2.11
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-diethylpyrazole-4-carbaldehyde
CID 23005660
1-(2,2-difluoroethyl)-3-ethylpyrazol-4-amine;hydrochloride
CID 171156670
N-cyclopentyl-1,3-diethylpyrazol-4-amine
CID 69088847
4-chloro-1-ethyl-3-(propan-2-yloxymethyl)pyrazole
CID 122170565
3-(2,2-difluoroethoxy)-2-methylpyridine
CID 131160464
4-chloro-3-(chloromethyl)-1-ethylpyrazole
CID 90480914
4-bromo-5-(2,2-difluoroethoxy)-1-ethylpyrazole
CID 151256853
N-[[3-(2,2-difluoroethoxy)-6-methyl-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 79156405
4-(difluoromethyl)-1-ethyl-3-(trifluoromethyl)pyrazole
CID 118357698
1-ethyl-4-propan-2-yloxypyrazole-3-carboxylic acid
CID 155892423
3-(2,6-difluorophenyl)-1-ethyl-4-methylsulfanylpyrazole
CID 142566308
3-(butan-2-yloxymethyl)-1-ethyl-4-iodopyrazole
CID 122170779

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoroethoxy)-1,3-diethylpyrazole?
The IUPAC name of 4-(2,2-difluoroethoxy)-1,3-diethylpyrazole (CID 174849959) is 4-(2,2-difluoroethoxy)-1,3-diethylpyrazole.
What is the SMILES notation for 4-(2,2-difluoroethoxy)-1,3-diethylpyrazole?
The canonical SMILES for 4-(2,2-difluoroethoxy)-1,3-diethylpyrazole is CCc1nn(CC)cc1OCC(F)F.
What is the InChIKey of 4-(2,2-difluoroethoxy)-1,3-diethylpyrazole?
The InChIKey is LZKDKZCONLPIJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2N2O/c1-3-7-8(14-6-9(10)11)5-13(4-2)12-7/h5,9H,3-4,6H2,1-2H3.
What are the key properties of 4-(2,2-difluoroethoxy)-1,3-diethylpyrazole?
4-(2,2-difluoroethoxy)-1,3-diethylpyrazole has a molecular weight of 204.22 g/mol, XLogP of 2.11, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoroethoxy)-1,3-diethylpyrazole is sourced from PubChem (CID 174849959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).