3-amino-1-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyridin-2-one

C10H9F3N4O — CID 137450569

IUPAC3-amino-1-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyridin-2-one
SMILESCn1cc(-n2cc(C(F)(F)F)cc(N)c2=O)cn1
InChIInChI=1S/C10H9F3N4O/c1-16-5-7(3-15-16)17-4-6(10(11,12)13)2-8(14)9(17)18/h2-5H,14H2,1H3
InChIKeyVUOYGJWNQMNLOU-UHFFFAOYSA-N
MW258.20 g/mol
LogP1.17
Rot. Bonds1

About 3-amino-1-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyridin-2-one

3-amino-1-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyridin-2-one (PubChem CID 137450569) has the molecular formula C10H9F3N4O and a molecular weight of 258.20 g/mol. Its IUPAC name is 3-amino-1-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name3-amino-1-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyridin-2-one
PubChem CID137450569
Molecular FormulaC10H9F3N4O
Molecular Weight258.20 g/mol
Exact Mass258.07
IUPAC Name3-amino-1-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyridin-2-one
SMILESCn1cc(-n2cc(C(F)(F)F)cc(N)c2=O)cn1
InChIInChI=1S/C10H9F3N4O/c1-16-5-7(3-15-16)17-4-6(10(11,12)13)2-8(14)9(17)18/h2-5H,14H2,1H3
InChIKeyVUOYGJWNQMNLOU-UHFFFAOYSA-N
XLogP1.17
TPSA65.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.20
LogP ≤ 51.17
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-methylpyrazol-4-yl)-5-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 3-amino-1-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyridin-2-one (CID 137450569) is 3-amino-1-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 3-amino-1-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 3-amino-1-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyridin-2-one is Cn1cc(-n2cc(C(F)(F)F)cc(N)c2=O)cn1.
What is the InChIKey of 3-amino-1-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyridin-2-one?
The InChIKey is VUOYGJWNQMNLOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N4O/c1-16-5-7(3-15-16)17-4-6(10(11,12)13)2-8(14)9(17)18/h2-5H,14H2,1H3.
What are the key properties of 3-amino-1-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyridin-2-one?
3-amino-1-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyridin-2-one has a molecular weight of 258.20 g/mol, XLogP of 1.17, 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-methylpyrazol-4-yl)-5-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 137450569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).