1-ethyl-5-fluoro-3-methylpyrazole

C6H9FN2 — CID 119056206

IUPAC1-ethyl-5-fluoro-3-methylpyrazole
SMILESCCn1nc(C)cc1F
InChIInChI=1S/C6H9FN2/c1-3-9-6(7)4-5(2)8-9/h4H,3H2,1-2H3
InChIKeyNNGHNDXKYTVRLX-UHFFFAOYSA-N
MW128.15 g/mol
LogP1.35
Rot. Bonds1

About 1-ethyl-5-fluoro-3-methylpyrazole

1-ethyl-5-fluoro-3-methylpyrazole (PubChem CID 119056206) has the molecular formula C6H9FN2 and a molecular weight of 128.15 g/mol. Its IUPAC name is 1-ethyl-5-fluoro-3-methylpyrazole.

Molecular Properties

Compound Name1-ethyl-5-fluoro-3-methylpyrazole
PubChem CID119056206
Molecular FormulaC6H9FN2
Molecular Weight128.15 g/mol
Exact Mass128.07
IUPAC Name1-ethyl-5-fluoro-3-methylpyrazole
SMILESCCn1nc(C)cc1F
InChIInChI=1S/C6H9FN2/c1-3-9-6(7)4-5(2)8-9/h4H,3H2,1-2H3
InChIKeyNNGHNDXKYTVRLX-UHFFFAOYSA-N
XLogP1.35
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.15
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-3,5-dimethylpyrazole
CID 565993
5-(chloromethyl)-1-ethyl-3-methylpyrazole
CID 50896690
4-(2-ethyl-5-methylpyrazol-3-yl)-3-fluoroaniline
CID 90393898
5-chloro-3-(2-ethyl-5-methylpyrazol-3-yl)-2-fluoropyridine
CID 165470287
tert-butyl 2-(5-fluoro-3-methylpyrazol-1-yl)acetate
CID 135396663
5-tert-butyl-1-ethyl-4-fluoro-3-methylpyrazole;5-tert-butyl-1-ethyl-3-methylpyrazole
CID 165024911
2-ethyl-6-methyl-4-(sulfanylmethyl)pyridazin-3-one
CID 82442720
ethene;2-ethyl-6-methylpyridazin-3-one
CID 159533733
2-ethyl-6-methyl-3-oxopyridazine-4-carboxylic acid
CID 82442699
4-ethyl-3-(2-ethyl-5-methylpyrazol-3-yl)-1,2,4-triazole
CID 115394639
1-(2-ethyl-5-methylpyrazol-3-yl)butan-1-ol
CID 105083085
4-(1-aminoethyl)-2-ethyl-6-methylpyridazin-3-one
CID 82442775

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-fluoro-3-methylpyrazole?
The IUPAC name of 1-ethyl-5-fluoro-3-methylpyrazole (CID 119056206) is 1-ethyl-5-fluoro-3-methylpyrazole.
What is the SMILES notation for 1-ethyl-5-fluoro-3-methylpyrazole?
The canonical SMILES for 1-ethyl-5-fluoro-3-methylpyrazole is CCn1nc(C)cc1F.
What is the InChIKey of 1-ethyl-5-fluoro-3-methylpyrazole?
The InChIKey is NNGHNDXKYTVRLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FN2/c1-3-9-6(7)4-5(2)8-9/h4H,3H2,1-2H3.
What are the key properties of 1-ethyl-5-fluoro-3-methylpyrazole?
1-ethyl-5-fluoro-3-methylpyrazole has a molecular weight of 128.15 g/mol, XLogP of 1.35, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-fluoro-3-methylpyrazole is sourced from PubChem (CID 119056206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).