3-(1-fluoroethoxy)-5-methyl-1H-pyrazole

C6H9FN2O — CID 171838810

IUPAC3-(1-fluoroethoxy)-5-methyl-1H-pyrazole
SMILESCC1=CC(=NN1)OC(C)F
InChIInChI=1S/C6H9FN2O/c1-4-3-6(9-8-4)10-5(2)7/h3,5H,1-2H3,(H,8,9)
InChIKeyFEXQWWGKRPVQJN-UHFFFAOYSA-N
MW144.15 g/mol
LogP1.80
Rot. Bonds2

About 3-(1-fluoroethoxy)-5-methyl-1H-pyrazole

3-(1-fluoroethoxy)-5-methyl-1H-pyrazole (PubChem CID 171838810) has the molecular formula C6H9FN2O and a molecular weight of 144.15 g/mol. Its IUPAC name is 3-(1-fluoroethoxy)-5-methyl-1H-pyrazole.

Molecular Properties

Compound Name3-(1-fluoroethoxy)-5-methyl-1H-pyrazole
PubChem CID171838810
Molecular FormulaC6H9FN2O
Molecular Weight144.15 g/mol
Exact Mass144.07
IUPAC Name3-(1-fluoroethoxy)-5-methyl-1H-pyrazole
SMILESCC1=CC(=NN1)OC(C)F
InChIInChI=1S/C6H9FN2O/c1-4-3-6(9-8-4)10-5(2)7/h3,5H,1-2H3,(H,8,9)
InChIKeyFEXQWWGKRPVQJN-UHFFFAOYSA-N
XLogP1.80
TPSA37.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity112

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.15
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethoxy-3-methyl-1H-pyrazole
CID 316286
3-Methoxy-5-methyl-1H-pyrazole
CID 3790357
5-(Trifluoromethyl)-3-[3-(dimethylamino)propoxy]-1H-pyrazole
CID 10198605
5-methoxy-3-(trifluoromethyl)-1H-pyrazole
CID 91245360
3-Ethoxy-5-(trifluoromethyl)-1h-pyrazole
CID 12086301
3-Ethoxy-5-(trifluoromethyl)-4-iodo-1H-pyrazole
CID 68572542
3-ethoxy-4-fluoro-5-methyl-1H-pyrazole
CID 68572579
3-Isopropoxy-5-methylpyrazole
CID 68571901
3-[(3-methyl-1H-pyrazol-5-yl)oxy]propan-1-amine dihydrochloride
CID 137971678
CID 161195652
CID 161195652
4-Iodo-3-isopropoxy-5-methylpyrazole
CID 68572666
3-ethoxy-4-iodo-5-methyl-1H-pyrazole
CID 101540300

Frequently Asked Questions

What is the IUPAC name of 3-(1-fluoroethoxy)-5-methyl-1H-pyrazole?
The IUPAC name of 3-(1-fluoroethoxy)-5-methyl-1H-pyrazole (CID 171838810) is 3-(1-fluoroethoxy)-5-methyl-1H-pyrazole.
What is the SMILES notation for 3-(1-fluoroethoxy)-5-methyl-1H-pyrazole?
The canonical SMILES for 3-(1-fluoroethoxy)-5-methyl-1H-pyrazole is CC1=CC(=NN1)OC(C)F.
What is the InChIKey of 3-(1-fluoroethoxy)-5-methyl-1H-pyrazole?
The InChIKey is FEXQWWGKRPVQJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FN2O/c1-4-3-6(9-8-4)10-5(2)7/h3,5H,1-2H3,(H,8,9).
What are the key properties of 3-(1-fluoroethoxy)-5-methyl-1H-pyrazole?
3-(1-fluoroethoxy)-5-methyl-1H-pyrazole has a molecular weight of 144.15 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-fluoroethoxy)-5-methyl-1H-pyrazole is sourced from PubChem (CID 171838810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).