3-amino-1-(1,5-dimethylpyrazol-3-yl)-5-fluoropyridin-2-one

C10H11FN4O — CID 137450736

IUPAC3-amino-1-(1,5-dimethylpyrazol-3-yl)-5-fluoropyridin-2-one
SMILESCc1cc(-n2cc(F)cc(N)c2=O)nn1C
InChIInChI=1S/C10H11FN4O/c1-6-3-9(13-14(6)2)15-5-7(11)4-8(12)10(15)16/h3-5H,12H2,1-2H3
InChIKeyYFZUDSACNWFINS-UHFFFAOYSA-N
MW222.22 g/mol
LogP0.60
Rot. Bonds1

About 3-amino-1-(1,5-dimethylpyrazol-3-yl)-5-fluoropyridin-2-one

3-amino-1-(1,5-dimethylpyrazol-3-yl)-5-fluoropyridin-2-one (PubChem CID 137450736) has the molecular formula C10H11FN4O and a molecular weight of 222.22 g/mol. Its IUPAC name is 3-amino-1-(1,5-dimethylpyrazol-3-yl)-5-fluoropyridin-2-one.

Molecular Properties

Compound Name3-amino-1-(1,5-dimethylpyrazol-3-yl)-5-fluoropyridin-2-one
PubChem CID137450736
Molecular FormulaC10H11FN4O
Molecular Weight222.22 g/mol
Exact Mass222.09
IUPAC Name3-amino-1-(1,5-dimethylpyrazol-3-yl)-5-fluoropyridin-2-one
SMILESCc1cc(-n2cc(F)cc(N)c2=O)nn1C
InChIInChI=1S/C10H11FN4O/c1-6-3-9(13-14(6)2)15-5-7(11)4-8(12)10(15)16/h3-5H,12H2,1-2H3
InChIKeyYFZUDSACNWFINS-UHFFFAOYSA-N
XLogP0.60
TPSA65.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.22
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(1,5-dimethylpyrazol-3-yl)-5-fluoropyridin-2-one?
The IUPAC name of 3-amino-1-(1,5-dimethylpyrazol-3-yl)-5-fluoropyridin-2-one (CID 137450736) is 3-amino-1-(1,5-dimethylpyrazol-3-yl)-5-fluoropyridin-2-one.
What is the SMILES notation for 3-amino-1-(1,5-dimethylpyrazol-3-yl)-5-fluoropyridin-2-one?
The canonical SMILES for 3-amino-1-(1,5-dimethylpyrazol-3-yl)-5-fluoropyridin-2-one is Cc1cc(-n2cc(F)cc(N)c2=O)nn1C.
What is the InChIKey of 3-amino-1-(1,5-dimethylpyrazol-3-yl)-5-fluoropyridin-2-one?
The InChIKey is YFZUDSACNWFINS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN4O/c1-6-3-9(13-14(6)2)15-5-7(11)4-8(12)10(15)16/h3-5H,12H2,1-2H3.
What are the key properties of 3-amino-1-(1,5-dimethylpyrazol-3-yl)-5-fluoropyridin-2-one?
3-amino-1-(1,5-dimethylpyrazol-3-yl)-5-fluoropyridin-2-one has a molecular weight of 222.22 g/mol, XLogP of 0.60, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(1,5-dimethylpyrazol-3-yl)-5-fluoropyridin-2-one is sourced from PubChem (CID 137450736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).