4-fluoro-3-methoxy-1-methylpyrazole

C5H7FN2O — CID 146392626

IUPAC4-fluoro-3-methoxy-1-methylpyrazole
SMILESCOc1nn(C)cc1F
InChIInChI=1S/C5H7FN2O/c1-8-3-4(6)5(7-8)9-2/h3H,1-2H3
InChIKeyPHXAFQSADDLCKC-UHFFFAOYSA-N
MW130.12 g/mol
LogP0.57
Rot. Bonds1

About 4-fluoro-3-methoxy-1-methylpyrazole

4-fluoro-3-methoxy-1-methylpyrazole (PubChem CID 146392626) has the molecular formula C5H7FN2O and a molecular weight of 130.12 g/mol. Its IUPAC name is 4-fluoro-3-methoxy-1-methylpyrazole.

Molecular Properties

Compound Name4-fluoro-3-methoxy-1-methylpyrazole
PubChem CID146392626
Molecular FormulaC5H7FN2O
Molecular Weight130.12 g/mol
Exact Mass130.05
IUPAC Name4-fluoro-3-methoxy-1-methylpyrazole
SMILESCOc1nn(C)cc1F
InChIInChI=1S/C5H7FN2O/c1-8-3-4(6)5(7-8)9-2/h3H,1-2H3
InChIKeyPHXAFQSADDLCKC-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-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
3-(Difluoromethoxy)-1,4-dimethylpyrazole
CID 59340904
3-(Fluoromethoxy)-1-methylpyrazole
CID 70195105

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methoxy-1-methylpyrazole?
The IUPAC name of 4-fluoro-3-methoxy-1-methylpyrazole (CID 146392626) is 4-fluoro-3-methoxy-1-methylpyrazole.
What is the SMILES notation for 4-fluoro-3-methoxy-1-methylpyrazole?
The canonical SMILES for 4-fluoro-3-methoxy-1-methylpyrazole is COc1nn(C)cc1F.
What is the InChIKey of 4-fluoro-3-methoxy-1-methylpyrazole?
The InChIKey is PHXAFQSADDLCKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7FN2O/c1-8-3-4(6)5(7-8)9-2/h3H,1-2H3.
What are the key properties of 4-fluoro-3-methoxy-1-methylpyrazole?
4-fluoro-3-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 4-fluoro-3-methoxy-1-methylpyrazole is sourced from PubChem (CID 146392626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).