3-amino-1-(1-ethyl-5-methylpyrazol-3-yl)-5-fluoropyridin-2-one

C11H13FN4O — CID 137450737

IUPAC3-amino-1-(1-ethyl-5-methylpyrazol-3-yl)-5-fluoropyridin-2-one
SMILESCCn1nc(-n2cc(F)cc(N)c2=O)cc1C
InChIInChI=1S/C11H13FN4O/c1-3-16-7(2)4-10(14-16)15-6-8(12)5-9(13)11(15)17/h4-6H,3,13H2,1-2H3
InChIKeySPASHZDMVPTUOW-UHFFFAOYSA-N
MW236.25 g/mol
LogP1.08
Rot. Bonds2

About 3-amino-1-(1-ethyl-5-methylpyrazol-3-yl)-5-fluoropyridin-2-one

3-amino-1-(1-ethyl-5-methylpyrazol-3-yl)-5-fluoropyridin-2-one (PubChem CID 137450737) has the molecular formula C11H13FN4O and a molecular weight of 236.25 g/mol. Its IUPAC name is 3-amino-1-(1-ethyl-5-methylpyrazol-3-yl)-5-fluoropyridin-2-one.

Molecular Properties

Compound Name3-amino-1-(1-ethyl-5-methylpyrazol-3-yl)-5-fluoropyridin-2-one
PubChem CID137450737
Molecular FormulaC11H13FN4O
Molecular Weight236.25 g/mol
Exact Mass236.11
IUPAC Name3-amino-1-(1-ethyl-5-methylpyrazol-3-yl)-5-fluoropyridin-2-one
SMILESCCn1nc(-n2cc(F)cc(N)c2=O)cc1C
InChIInChI=1S/C11H13FN4O/c1-3-16-7(2)4-10(14-16)15-6-8(12)5-9(13)11(15)17/h4-6H,3,13H2,1-2H3
InChIKeySPASHZDMVPTUOW-UHFFFAOYSA-N
XLogP1.08
TPSA65.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 51.08
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-ethyl-5-methylpyrazol-3-yl)-5-fluoropyridin-2-one?
The IUPAC name of 3-amino-1-(1-ethyl-5-methylpyrazol-3-yl)-5-fluoropyridin-2-one (CID 137450737) is 3-amino-1-(1-ethyl-5-methylpyrazol-3-yl)-5-fluoropyridin-2-one.
What is the SMILES notation for 3-amino-1-(1-ethyl-5-methylpyrazol-3-yl)-5-fluoropyridin-2-one?
The canonical SMILES for 3-amino-1-(1-ethyl-5-methylpyrazol-3-yl)-5-fluoropyridin-2-one is CCn1nc(-n2cc(F)cc(N)c2=O)cc1C.
What is the InChIKey of 3-amino-1-(1-ethyl-5-methylpyrazol-3-yl)-5-fluoropyridin-2-one?
The InChIKey is SPASHZDMVPTUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN4O/c1-3-16-7(2)4-10(14-16)15-6-8(12)5-9(13)11(15)17/h4-6H,3,13H2,1-2H3.
What are the key properties of 3-amino-1-(1-ethyl-5-methylpyrazol-3-yl)-5-fluoropyridin-2-one?
3-amino-1-(1-ethyl-5-methylpyrazol-3-yl)-5-fluoropyridin-2-one has a molecular weight of 236.25 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(1-ethyl-5-methylpyrazol-3-yl)-5-fluoropyridin-2-one is sourced from PubChem (CID 137450737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).