3-fluoro-5-methoxy-1-methylpyrazole

C5H7FN2O — CID 146392703

IUPAC3-fluoro-5-methoxy-1-methylpyrazole
SMILESCOc1cc(F)nn1C
InChIInChI=1S/C5H7FN2O/c1-8-5(9-2)3-4(6)7-8/h3H,1-2H3
InChIKeyALWMGTGKXBCDPU-UHFFFAOYSA-N
MW130.12 g/mol
LogP0.57
Rot. Bonds1

About 3-fluoro-5-methoxy-1-methylpyrazole

3-fluoro-5-methoxy-1-methylpyrazole (PubChem CID 146392703) has the molecular formula C5H7FN2O and a molecular weight of 130.12 g/mol. Its IUPAC name is 3-fluoro-5-methoxy-1-methylpyrazole.

Molecular Properties

Compound Name3-fluoro-5-methoxy-1-methylpyrazole
PubChem CID146392703
Molecular FormulaC5H7FN2O
Molecular Weight130.12 g/mol
Exact Mass130.05
IUPAC Name3-fluoro-5-methoxy-1-methylpyrazole
SMILESCOc1cc(F)nn1C
InChIInChI=1S/C5H7FN2O/c1-8-5(9-2)3-4(6)7-8/h3H,1-2H3
InChIKeyALWMGTGKXBCDPU-UHFFFAOYSA-N
XLogP0.57
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.12
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-methoxy-1-methylpyrazol-3-amine
CID 55284551
3-ethyl-5-methoxy-1-methylpyrazole
CID 165138939
4-(5-methoxy-1-methylpyrazol-3-yl)-1,3-thiazol-2-amine
CID 130497445
5-chloro-3-fluoro-2-(5-methoxy-1-methylpyrazol-3-yl)pyridine
CID 131875828
1-(4-fluorophenyl)-1-(5-methoxy-1-methylpyrazol-3-yl)-N-methylmethanamine
CID 114255322
5-tert-butyl-3-fluoro-1-methylpyrazole
CID 146376811
3-fluoro-1-methyl-5-(trifluoromethyl)pyrazole
CID 59173012
N'-(5-methoxy-1-methylpyrazol-3-yl)ethanimidamide
CID 126975543
5-(5-methoxy-1-methylpyrazol-3-yl)-1H-pyrazol-3-amine
CID 126975523
5-methoxy-1-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
CID 138991178
2-[(5-methoxy-1-methylpyrazol-3-yl)amino]ethanol
CID 130168341
(4-fluoro-3-methylphenyl)-(5-methoxy-1-methylpyrazol-3-yl)methanol
CID 114255619

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-methoxy-1-methylpyrazole?
The IUPAC name of 3-fluoro-5-methoxy-1-methylpyrazole (CID 146392703) is 3-fluoro-5-methoxy-1-methylpyrazole.
What is the SMILES notation for 3-fluoro-5-methoxy-1-methylpyrazole?
The canonical SMILES for 3-fluoro-5-methoxy-1-methylpyrazole is COc1cc(F)nn1C.
What is the InChIKey of 3-fluoro-5-methoxy-1-methylpyrazole?
The InChIKey is ALWMGTGKXBCDPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7FN2O/c1-8-5(9-2)3-4(6)7-8/h3H,1-2H3.
What are the key properties of 3-fluoro-5-methoxy-1-methylpyrazole?
3-fluoro-5-methoxy-1-methylpyrazole has a molecular weight of 130.12 g/mol, XLogP of 0.57, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-methoxy-1-methylpyrazole is sourced from PubChem (CID 146392703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).