5-fluoro-1-(2-methoxyethyl)-4-methylpyrazole

C7H11FN2O — CID 123486075

IUPAC5-fluoro-1-(2-methoxyethyl)-4-methylpyrazole
SMILESCOCCn1ncc(C)c1F
InChIInChI=1S/C7H11FN2O/c1-6-5-9-10(7(6)8)3-4-11-2/h5H,3-4H2,1-2H3
InChIKeyGJFAOFCXCZYJTL-UHFFFAOYSA-N
MW158.18 g/mol
LogP0.98
Rot. Bonds3

About 5-fluoro-1-(2-methoxyethyl)-4-methylpyrazole

5-fluoro-1-(2-methoxyethyl)-4-methylpyrazole (PubChem CID 123486075) has the molecular formula C7H11FN2O and a molecular weight of 158.18 g/mol. Its IUPAC name is 5-fluoro-1-(2-methoxyethyl)-4-methylpyrazole.

Molecular Properties

Compound Name5-fluoro-1-(2-methoxyethyl)-4-methylpyrazole
PubChem CID123486075
Molecular FormulaC7H11FN2O
Molecular Weight158.18 g/mol
Exact Mass158.09
IUPAC Name5-fluoro-1-(2-methoxyethyl)-4-methylpyrazole
SMILESCOCCn1ncc(C)c1F
InChIInChI=1S/C7H11FN2O/c1-6-5-9-10(7(6)8)3-4-11-2/h5H,3-4H2,1-2H3
InChIKeyGJFAOFCXCZYJTL-UHFFFAOYSA-N
XLogP0.98
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.18
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-Bromo-1-(2-methoxyethyl)-1H-pyrazole
CID 23247855
1-(2-Methoxyethyl)-1H-pyrazole
CID 21859716
2-(4-Methyl-1H-pyrazol-1-yl)propan-1-ol
CID 45791165
1-(2-methoxyethyl)-4-methyl-1H-pyrazol-3-amine
CID 64039250
(1-(2-Methoxyethyl)-1H-pyrazol-4-yl)boronic acid
CID 11275252
[1-(2-methoxyethyl)-1H-pyrazol-4-yl]methanamine
CID 62729144
2-(4-Methyl-1H-pyrazol-1-yl)ethanol hydrochloride
CID 53433651
(2-methoxyethyl)[(1-methyl-1H-pyrazol-4-yl)methyl]amine dihydrochloride
CID 165994202
4-methyl-1-[1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]-1H-pyrazole
CID 145874394
Tert-butyl-[2-(4-fluoropyrazol-1-yl)ethoxy]-dimethylsilane
CID 154722276
Tert-butyl-dimethyl-[2-[4-(trifluoromethyl)pyrazol-1-yl]ethoxy]silane
CID 154722332
2-(4-Methyl-1H-pyrazol-1-YL)ethanol
CID 19621864

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-(2-methoxyethyl)-4-methylpyrazole?
The IUPAC name of 5-fluoro-1-(2-methoxyethyl)-4-methylpyrazole (CID 123486075) is 5-fluoro-1-(2-methoxyethyl)-4-methylpyrazole.
What is the SMILES notation for 5-fluoro-1-(2-methoxyethyl)-4-methylpyrazole?
The canonical SMILES for 5-fluoro-1-(2-methoxyethyl)-4-methylpyrazole is COCCn1ncc(C)c1F.
What is the InChIKey of 5-fluoro-1-(2-methoxyethyl)-4-methylpyrazole?
The InChIKey is GJFAOFCXCZYJTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FN2O/c1-6-5-9-10(7(6)8)3-4-11-2/h5H,3-4H2,1-2H3.
What are the key properties of 5-fluoro-1-(2-methoxyethyl)-4-methylpyrazole?
5-fluoro-1-(2-methoxyethyl)-4-methylpyrazole has a molecular weight of 158.18 g/mol, XLogP of 0.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-(2-methoxyethyl)-4-methylpyrazole is sourced from PubChem (CID 123486075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).