ethane;1-ethyl-5-fluoro-4-methylpyrazole

C8H15FN2 — CID 169218374

IUPACethane;1-ethyl-5-fluoro-4-methylpyrazole
SMILESCC.CCn1ncc(C)c1F
InChIInChI=1S/C6H9FN2.C2H6/c1-3-9-6(7)5(2)4-8-9;1-2/h4H,3H2,1-2H3;1-2H3
InChIKeyAUFFCVZTCRQZJF-UHFFFAOYSA-N
MW158.22 g/mol
LogP2.38
Rot. Bonds1

About ethane;1-ethyl-5-fluoro-4-methylpyrazole

ethane;1-ethyl-5-fluoro-4-methylpyrazole (PubChem CID 169218374) has the molecular formula C8H15FN2 and a molecular weight of 158.22 g/mol. Its IUPAC name is ethane;1-ethyl-5-fluoro-4-methylpyrazole.

Molecular Properties

Compound Nameethane;1-ethyl-5-fluoro-4-methylpyrazole
PubChem CID169218374
Molecular FormulaC8H15FN2
Molecular Weight158.22 g/mol
Exact Mass158.12
IUPAC Nameethane;1-ethyl-5-fluoro-4-methylpyrazole
SMILESCC.CCn1ncc(C)c1F
InChIInChI=1S/C6H9FN2.C2H6/c1-3-9-6(7)5(2)4-8-9;1-2/h4H,3H2,1-2H3;1-2H3
InChIKeyAUFFCVZTCRQZJF-UHFFFAOYSA-N
XLogP2.38
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.22
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-1-ethyl-5-fluoropyrazole
CID 105429239
(1-ethyl-5-fluoropyrazol-4-yl)methanamine
CID 115011510
1-ethyl-4-methylpyrazole-5-sulfonyl fluoride
CID 166000997
5-tert-butyl-1-ethyl-4-methylpyrazole
CID 59146019
1-ethyl-5-fluoropyrazole-4-carbonyl chloride
CID 90480915
1-ethyl-5-[(4-fluorophenyl)methoxy]-4-methylpyrazole
CID 58765046
1-(1,5-dimethylpyrazol-4-yl)-N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]methanamine
CID 122169167
1-ethyl-5-methylpyrazole-4-thiol
CID 66098686
4-(1-ethyl-4-methylpyrazol-5-yl)phenol
CID 136765379
N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-1-(1-ethyl-3-methylpyrazol-4-yl)methanamine
CID 122169172
4,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazole;ethane
CID 169218060
ethane;1-ethyl-4-methylpyrazolo[3,4-b]pyridine
CID 162761081

Frequently Asked Questions

What is the IUPAC name of ethane;1-ethyl-5-fluoro-4-methylpyrazole?
The IUPAC name of ethane;1-ethyl-5-fluoro-4-methylpyrazole (CID 169218374) is ethane;1-ethyl-5-fluoro-4-methylpyrazole.
What is the SMILES notation for ethane;1-ethyl-5-fluoro-4-methylpyrazole?
The canonical SMILES for ethane;1-ethyl-5-fluoro-4-methylpyrazole is CC.CCn1ncc(C)c1F.
What is the InChIKey of ethane;1-ethyl-5-fluoro-4-methylpyrazole?
The InChIKey is AUFFCVZTCRQZJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FN2.C2H6/c1-3-9-6(7)5(2)4-8-9;1-2/h4H,3H2,1-2H3;1-2H3.
What are the key properties of ethane;1-ethyl-5-fluoro-4-methylpyrazole?
ethane;1-ethyl-5-fluoro-4-methylpyrazole has a molecular weight of 158.22 g/mol, XLogP of 2.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethyl-5-fluoro-4-methylpyrazole is sourced from PubChem (CID 169218374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).