1-ethyl-4-fluoro-5-prop-2-ynoxypyrazole

C8H9FN2O — CID 141420726

IUPAC1-ethyl-4-fluoro-5-prop-2-ynoxypyrazole
SMILESC#CCOc1c(F)cnn1CC
InChIInChI=1S/C8H9FN2O/c1-3-5-12-8-7(9)6-10-11(8)4-2/h1,6H,4-5H2,2H3
InChIKeyIJGPFTFPOLBGLA-UHFFFAOYSA-N
MW168.17 g/mol
LogP1.05
Rot. Bonds3

About 1-ethyl-4-fluoro-5-prop-2-ynoxypyrazole

1-ethyl-4-fluoro-5-prop-2-ynoxypyrazole (PubChem CID 141420726) has the molecular formula C8H9FN2O and a molecular weight of 168.17 g/mol. Its IUPAC name is 1-ethyl-4-fluoro-5-prop-2-ynoxypyrazole.

Molecular Properties

Compound Name1-ethyl-4-fluoro-5-prop-2-ynoxypyrazole
PubChem CID141420726
Molecular FormulaC8H9FN2O
Molecular Weight168.17 g/mol
Exact Mass168.07
IUPAC Name1-ethyl-4-fluoro-5-prop-2-ynoxypyrazole
SMILESC#CCOc1c(F)cnn1CC
InChIInChI=1S/C8H9FN2O/c1-3-5-12-8-7(9)6-10-11(8)4-2/h1,6H,4-5H2,2H3
InChIKeyIJGPFTFPOLBGLA-UHFFFAOYSA-N
XLogP1.05
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.17
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-ethynyl-5H,6H,7H-pyrazolo(3,2-b)(1,3)oxazine
CID 155819315
1-(Difluoromethyl)-3-ethoxy-1H-pyrazole
CID 118164917
4-(Difluoromethyl)-5-ethoxy-1-methylpyrazole
CID 118271004
3-(1,1,2,2,3,3-Hexafluoropropoxy)-1-methyl-4-(trifluoromethyl)pyrazole
CID 135352504
1-Tert-butyl-4-fluoro-3-methoxypyrazole
CID 139319983
4-Fluoro-1-methyl-5-(2,2,2-trifluoroethoxy)pyrazole
CID 140313059
1-Methyl-5-(2,2,2-trifluoroethoxy)pyrazole
CID 141420719
5-(Difluoromethoxy)-4-fluoro-1-methylpyrazole
CID 141420737
1-(Difluoromethyl)-4-methyl-5-prop-2-ynoxypyrazole
CID 141420738
5-Ethoxy-1-ethyl-4-fluoropyrazole
CID 141420740
5-(Difluoromethoxy)-4-methyl-1-propylpyrazole
CID 141420745
1-Tert-butyl-4-fluoro-5-methoxypyrazole
CID 146376902

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-fluoro-5-prop-2-ynoxypyrazole?
The IUPAC name of 1-ethyl-4-fluoro-5-prop-2-ynoxypyrazole (CID 141420726) is 1-ethyl-4-fluoro-5-prop-2-ynoxypyrazole.
What is the SMILES notation for 1-ethyl-4-fluoro-5-prop-2-ynoxypyrazole?
The canonical SMILES for 1-ethyl-4-fluoro-5-prop-2-ynoxypyrazole is C#CCOc1c(F)cnn1CC.
What is the InChIKey of 1-ethyl-4-fluoro-5-prop-2-ynoxypyrazole?
The InChIKey is IJGPFTFPOLBGLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2O/c1-3-5-12-8-7(9)6-10-11(8)4-2/h1,6H,4-5H2,2H3.
What are the key properties of 1-ethyl-4-fluoro-5-prop-2-ynoxypyrazole?
1-ethyl-4-fluoro-5-prop-2-ynoxypyrazole has a molecular weight of 168.17 g/mol, XLogP of 1.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-fluoro-5-prop-2-ynoxypyrazole is sourced from PubChem (CID 141420726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).