5-(difluoromethoxy)-4-fluoro-1-methylpyrazole

C5H5F3N2O — CID 141420737

IUPAC5-(difluoromethoxy)-4-fluoro-1-methylpyrazole
SMILESCn1ncc(F)c1OC(F)F
InChIInChI=1S/C5H5F3N2O/c1-10-4(11-5(7)8)3(6)2-9-10/h2,5H,1H3
InChIKeyMVZYRXLTFWHICZ-UHFFFAOYSA-N
MW166.10 g/mol
LogP1.16
Rot. Bonds2

About 5-(difluoromethoxy)-4-fluoro-1-methylpyrazole

5-(difluoromethoxy)-4-fluoro-1-methylpyrazole (PubChem CID 141420737) has the molecular formula C5H5F3N2O and a molecular weight of 166.10 g/mol. Its IUPAC name is 5-(difluoromethoxy)-4-fluoro-1-methylpyrazole.

Molecular Properties

Compound Name5-(difluoromethoxy)-4-fluoro-1-methylpyrazole
PubChem CID141420737
Molecular FormulaC5H5F3N2O
Molecular Weight166.10 g/mol
Exact Mass166.04
IUPAC Name5-(difluoromethoxy)-4-fluoro-1-methylpyrazole
SMILESCn1ncc(F)c1OC(F)F
InChIInChI=1S/C5H5F3N2O/c1-10-4(11-5(7)8)3(6)2-9-10/h2,5H,1H3
InChIKeyMVZYRXLTFWHICZ-UHFFFAOYSA-N
XLogP1.16
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.10
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-methoxy-1-methyl-1H-pyrazole-4-carbonitrile
CID 12100054
4-Bromo-5-methoxy-1-methyl-1H-pyrazole
CID 13131235
3-Methoxy-1-methyl-1H-pyrazole
CID 18622370
4-bromo-3-methoxy-1-methyl-1H-pyrazole
CID 67003909
(3-methoxy-1-methyl-1H-pyrazol-4-yl)methanamine
CID 82594285
4-Iodo-3-methoxy-1-methyl-1H-pyrazole
CID 134540668
4-iodo-5-methoxy-1-methyl-1H-pyrazole
CID 135235808
3-methoxy-1-methyl-1H-pyrazole-4-carbonitrile
CID 82651116
4-Chloro-5-(difluoromethoxy)-1-methylpyrazole
CID 17909875
3-(difluoromethoxy)-1-methyl-1H-pyrazole
CID 19424663
5-(Difluoromethoxy)-4-ethyl-1-methylpyrazole
CID 53720359
3-(Difluoromethoxy)-1,4-dimethylpyrazole
CID 59340904

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethoxy)-4-fluoro-1-methylpyrazole?
The IUPAC name of 5-(difluoromethoxy)-4-fluoro-1-methylpyrazole (CID 141420737) is 5-(difluoromethoxy)-4-fluoro-1-methylpyrazole.
What is the SMILES notation for 5-(difluoromethoxy)-4-fluoro-1-methylpyrazole?
The canonical SMILES for 5-(difluoromethoxy)-4-fluoro-1-methylpyrazole is Cn1ncc(F)c1OC(F)F.
What is the InChIKey of 5-(difluoromethoxy)-4-fluoro-1-methylpyrazole?
The InChIKey is MVZYRXLTFWHICZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3N2O/c1-10-4(11-5(7)8)3(6)2-9-10/h2,5H,1H3.
What are the key properties of 5-(difluoromethoxy)-4-fluoro-1-methylpyrazole?
5-(difluoromethoxy)-4-fluoro-1-methylpyrazole has a molecular weight of 166.10 g/mol, XLogP of 1.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethoxy)-4-fluoro-1-methylpyrazole is sourced from PubChem (CID 141420737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).