3-ethyl-4-fluoro-5-methyl-4,5-dihydro-1H-pyrazole

C6H11FN2 — CID 146393060

IUPAC3-ethyl-4-fluoro-5-methyl-4,5-dihydro-1H-pyrazole
SMILESCCC1=NNC(C)C1F
InChIInChI=1S/C6H11FN2/c1-3-5-6(7)4(2)8-9-5/h4,6,8H,3H2,1-2H3
InChIKeyCBSHTDRZIKTLLY-UHFFFAOYSA-N
MW130.17 g/mol
LogP1.08
Rot. Bonds1

About 3-ethyl-4-fluoro-5-methyl-4,5-dihydro-1H-pyrazole

3-ethyl-4-fluoro-5-methyl-4,5-dihydro-1H-pyrazole (PubChem CID 146393060) has the molecular formula C6H11FN2 and a molecular weight of 130.17 g/mol. Its IUPAC name is 3-ethyl-4-fluoro-5-methyl-4,5-dihydro-1H-pyrazole.

Molecular Properties

Compound Name3-ethyl-4-fluoro-5-methyl-4,5-dihydro-1H-pyrazole
PubChem CID146393060
Molecular FormulaC6H11FN2
Molecular Weight130.17 g/mol
Exact Mass130.09
IUPAC Name3-ethyl-4-fluoro-5-methyl-4,5-dihydro-1H-pyrazole
SMILESCCC1=NNC(C)C1F
InChIInChI=1S/C6H11FN2/c1-3-5-6(7)4(2)8-9-5/h4,6,8H,3H2,1-2H3
InChIKeyCBSHTDRZIKTLLY-UHFFFAOYSA-N
XLogP1.08
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.17
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-fluoro-5-methyl-4,5-dihydro-1H-pyrazole?
The IUPAC name of 3-ethyl-4-fluoro-5-methyl-4,5-dihydro-1H-pyrazole (CID 146393060) is 3-ethyl-4-fluoro-5-methyl-4,5-dihydro-1H-pyrazole.
What is the SMILES notation for 3-ethyl-4-fluoro-5-methyl-4,5-dihydro-1H-pyrazole?
The canonical SMILES for 3-ethyl-4-fluoro-5-methyl-4,5-dihydro-1H-pyrazole is CCC1=NNC(C)C1F.
What is the InChIKey of 3-ethyl-4-fluoro-5-methyl-4,5-dihydro-1H-pyrazole?
The InChIKey is CBSHTDRZIKTLLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11FN2/c1-3-5-6(7)4(2)8-9-5/h4,6,8H,3H2,1-2H3.
What are the key properties of 3-ethyl-4-fluoro-5-methyl-4,5-dihydro-1H-pyrazole?
3-ethyl-4-fluoro-5-methyl-4,5-dihydro-1H-pyrazole has a molecular weight of 130.17 g/mol, XLogP of 1.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-fluoro-5-methyl-4,5-dihydro-1H-pyrazole is sourced from PubChem (CID 146393060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).