1-(2,2-difluoroethyl)-3-methoxypyrazole

C6H8F2N2O — CID 141431612

IUPAC1-(2,2-difluoroethyl)-3-methoxypyrazole
SMILESCOc1ccn(CC(F)F)n1
InChIInChI=1S/C6H8F2N2O/c1-11-6-2-3-10(9-6)4-5(7)8/h2-3,5H,4H2,1H3
InChIKeyDLKQUYPXBRADEE-UHFFFAOYSA-N
MW162.14 g/mol
LogP1.16
Rot. Bonds3

About 1-(2,2-difluoroethyl)-3-methoxypyrazole

1-(2,2-difluoroethyl)-3-methoxypyrazole (PubChem CID 141431612) has the molecular formula C6H8F2N2O and a molecular weight of 162.14 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-3-methoxypyrazole.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-3-methoxypyrazole
PubChem CID141431612
Molecular FormulaC6H8F2N2O
Molecular Weight162.14 g/mol
Exact Mass162.06
IUPAC Name1-(2,2-difluoroethyl)-3-methoxypyrazole
SMILESCOc1ccn(CC(F)F)n1
InChIInChI=1S/C6H8F2N2O/c1-11-6-2-3-10(9-6)4-5(7)8/h2-3,5H,4H2,1H3
InChIKeyDLKQUYPXBRADEE-UHFFFAOYSA-N
XLogP1.16
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 ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,2-difluoroethyl)-3-(2,2-dimethylpropyl)pyrazole
CID 135157683
1-(2,2-difluoroethyl)-N-[(6-methoxy-2-pyridinyl)methyl]pyrazol-3-amine
CID 100611322
3-tert-butyl-1-(2,2-difluoroethyl)pyrazole
CID 154655757
1-(2,2-difluoroethyl)-N-(2,2-dimethylpropyl)pyrazol-3-amine
CID 115698091
1-(2,2-difluoroethyl)-N-propan-2-ylpyrazol-3-amine
CID 115921015
1-(2,2-difluoroethyl)-N-[(2S)-3-methylbutan-2-yl]pyrazol-3-amine
CID 97338490
1-(2,2-difluoroethyl)pyrazole-3-carboxylic acid;ethane
CID 145001463
1-(2,2-difluoroethyl)-4-iodo-3-methoxypyrazole
CID 164885857
N-[[1-(2,2-difluoroethyl)pyrazol-3-yl]methyl]propan-1-amine
CID 122168966
3-methoxy-1-[(3-methoxyphenyl)methyl]pyrazole
CID 174759475
4-tert-butyl-1-(2,2-difluoroethyl)-3-methoxypyrazole
CID 177263183
1-(2,2-difluoroethyl)-N'-hydroxypyrazole-3-carboximidamide
CID 136959632

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-3-methoxypyrazole?
The IUPAC name of 1-(2,2-difluoroethyl)-3-methoxypyrazole (CID 141431612) is 1-(2,2-difluoroethyl)-3-methoxypyrazole.
What is the SMILES notation for 1-(2,2-difluoroethyl)-3-methoxypyrazole?
The canonical SMILES for 1-(2,2-difluoroethyl)-3-methoxypyrazole is COc1ccn(CC(F)F)n1.
What is the InChIKey of 1-(2,2-difluoroethyl)-3-methoxypyrazole?
The InChIKey is DLKQUYPXBRADEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2N2O/c1-11-6-2-3-10(9-6)4-5(7)8/h2-3,5H,4H2,1H3.
What are the key properties of 1-(2,2-difluoroethyl)-3-methoxypyrazole?
1-(2,2-difluoroethyl)-3-methoxypyrazole has a molecular weight of 162.14 g/mol, XLogP of 1.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-3-methoxypyrazole is sourced from PubChem (CID 141431612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).