2-(5-amino-2-pyridinyl)-5-ethyl-4-fluoro-4H-pyrazol-3-one

C10H11FN4O — CID 131572870

IUPAC2-(5-amino-2-pyridinyl)-5-ethyl-4-fluoro-4H-pyrazol-3-one
SMILESCCC1=NN(c2ccc(N)cn2)C(=O)C1F
InChIInChI=1S/C10H11FN4O/c1-2-7-9(11)10(16)15(14-7)8-4-3-6(12)5-13-8/h3-5,9H,2,12H2,1H3
InChIKeyGNBIOFPISNDXBC-UHFFFAOYSA-N
MW222.22 g/mol
LogP1.11
Rot. Bonds2

About 2-(5-amino-2-pyridinyl)-5-ethyl-4-fluoro-4H-pyrazol-3-one

2-(5-amino-2-pyridinyl)-5-ethyl-4-fluoro-4H-pyrazol-3-one (PubChem CID 131572870) has the molecular formula C10H11FN4O and a molecular weight of 222.22 g/mol. Its IUPAC name is 2-(5-amino-2-pyridinyl)-5-ethyl-4-fluoro-4H-pyrazol-3-one.

Molecular Properties

Compound Name2-(5-amino-2-pyridinyl)-5-ethyl-4-fluoro-4H-pyrazol-3-one
PubChem CID131572870
Molecular FormulaC10H11FN4O
Molecular Weight222.22 g/mol
Exact Mass222.09
IUPAC Name2-(5-amino-2-pyridinyl)-5-ethyl-4-fluoro-4H-pyrazol-3-one
SMILESCCC1=NN(c2ccc(N)cn2)C(=O)C1F
InChIInChI=1S/C10H11FN4O/c1-2-7-9(11)10(16)15(14-7)8-4-3-6(12)5-13-8/h3-5,9H,2,12H2,1H3
InChIKeyGNBIOFPISNDXBC-UHFFFAOYSA-N
XLogP1.11
TPSA71.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.22
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-amino-2-pyridinyl)-4-methyl-5-phenyl-4H-pyrazol-3-one
CID 104846045
5-ethyl-4-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]-4H-pyrazol-3-one
CID 63561648
2-(5-amino-2-pyridinyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 103979180
4-(2-aminoethyl)-5-ethyl-2-pyrimidin-4-yl-4H-pyrazol-3-one
CID 79822670
2-(4-amino-2-pyridinyl)-4-fluoro-5-methyl-4H-pyrazol-3-one
CID 131584378
6-[3-(diethylamino)pyrrolidin-1-yl]pyridin-3-amine
CID 55158197
6-(5-ethyl-1,2,4-triazol-1-yl)pyridin-3-amine
CID 174145326
6-(4-ethoxypiperidin-1-yl)pyridin-3-amine
CID 61220344
6-[3-(fluoromethyl)azetidin-1-yl]pyridin-3-amine
CID 121201657
6-[(3R)-3-aminopyrrolidin-1-yl]pyridin-3-amine
CID 68722963
2-(5-amino-2-pyridinyl)-4,5,6,7-tetrahydroisoindole-1,3-dione
CID 134114768
ethyl 8-(5-amino-2-pyridinyl)spiro[8-azabicyclo[3.2.1]octane-3,3'-cyclobutane]-1'-carboxylate
CID 118275484

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-pyridinyl)-5-ethyl-4-fluoro-4H-pyrazol-3-one?
The IUPAC name of 2-(5-amino-2-pyridinyl)-5-ethyl-4-fluoro-4H-pyrazol-3-one (CID 131572870) is 2-(5-amino-2-pyridinyl)-5-ethyl-4-fluoro-4H-pyrazol-3-one.
What is the SMILES notation for 2-(5-amino-2-pyridinyl)-5-ethyl-4-fluoro-4H-pyrazol-3-one?
The canonical SMILES for 2-(5-amino-2-pyridinyl)-5-ethyl-4-fluoro-4H-pyrazol-3-one is CCC1=NN(c2ccc(N)cn2)C(=O)C1F.
What is the InChIKey of 2-(5-amino-2-pyridinyl)-5-ethyl-4-fluoro-4H-pyrazol-3-one?
The InChIKey is GNBIOFPISNDXBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN4O/c1-2-7-9(11)10(16)15(14-7)8-4-3-6(12)5-13-8/h3-5,9H,2,12H2,1H3.
What are the key properties of 2-(5-amino-2-pyridinyl)-5-ethyl-4-fluoro-4H-pyrazol-3-one?
2-(5-amino-2-pyridinyl)-5-ethyl-4-fluoro-4H-pyrazol-3-one has a molecular weight of 222.22 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-2-pyridinyl)-5-ethyl-4-fluoro-4H-pyrazol-3-one is sourced from PubChem (CID 131572870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).