3-(3-hydroxy-6-methyl-4-oxopyran-2-yl)-3-(1-methylpyrazol-4-yl)propanamide

C13H15N3O4 — CID 86207489

IUPAC3-(3-hydroxy-6-methyl-4-oxopyran-2-yl)-3-(1-methylpyrazol-4-yl)propanamide
SMILESCc1cc(=O)c(O)c(C(CC(N)=O)c2cnn(C)c2)o1
InChIInChI=1S/C13H15N3O4/c1-7-3-10(17)12(19)13(20-7)9(4-11(14)18)8-5-15-16(2)6-8/h3,5-6,9,19H,4H2,1-2H3,(H2,14,18)
InChIKeyWWQNIFASYDFBCN-UHFFFAOYSA-N
MW277.28 g/mol
LogP0.39
Rot. Bonds4

About 3-(3-hydroxy-6-methyl-4-oxopyran-2-yl)-3-(1-methylpyrazol-4-yl)propanamide

3-(3-hydroxy-6-methyl-4-oxopyran-2-yl)-3-(1-methylpyrazol-4-yl)propanamide (PubChem CID 86207489) has the molecular formula C13H15N3O4 and a molecular weight of 277.28 g/mol. Its IUPAC name is 3-(3-hydroxy-6-methyl-4-oxopyran-2-yl)-3-(1-methylpyrazol-4-yl)propanamide.

Molecular Properties

Compound Name3-(3-hydroxy-6-methyl-4-oxopyran-2-yl)-3-(1-methylpyrazol-4-yl)propanamide
PubChem CID86207489
Molecular FormulaC13H15N3O4
Molecular Weight277.28 g/mol
Exact Mass277.11
IUPAC Name3-(3-hydroxy-6-methyl-4-oxopyran-2-yl)-3-(1-methylpyrazol-4-yl)propanamide
SMILESCc1cc(=O)c(O)c(C(CC(N)=O)c2cnn(C)c2)o1
InChIInChI=1S/C13H15N3O4/c1-7-3-10(17)12(19)13(20-7)9(4-11(14)18)8-5-15-16(2)6-8/h3,5-6,9,19H,4H2,1-2H3,(H2,14,18)
InChIKeyWWQNIFASYDFBCN-UHFFFAOYSA-N
XLogP0.39
TPSA111.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxy-6-methyl-4-oxopyran-2-yl)-3-(1-methylpyrazol-4-yl)propanamide?
The IUPAC name of 3-(3-hydroxy-6-methyl-4-oxopyran-2-yl)-3-(1-methylpyrazol-4-yl)propanamide (CID 86207489) is 3-(3-hydroxy-6-methyl-4-oxopyran-2-yl)-3-(1-methylpyrazol-4-yl)propanamide.
What is the SMILES notation for 3-(3-hydroxy-6-methyl-4-oxopyran-2-yl)-3-(1-methylpyrazol-4-yl)propanamide?
The canonical SMILES for 3-(3-hydroxy-6-methyl-4-oxopyran-2-yl)-3-(1-methylpyrazol-4-yl)propanamide is Cc1cc(=O)c(O)c(C(CC(N)=O)c2cnn(C)c2)o1.
What is the InChIKey of 3-(3-hydroxy-6-methyl-4-oxopyran-2-yl)-3-(1-methylpyrazol-4-yl)propanamide?
The InChIKey is WWQNIFASYDFBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4/c1-7-3-10(17)12(19)13(20-7)9(4-11(14)18)8-5-15-16(2)6-8/h3,5-6,9,19H,4H2,1-2H3,(H2,14,18).
What are the key properties of 3-(3-hydroxy-6-methyl-4-oxopyran-2-yl)-3-(1-methylpyrazol-4-yl)propanamide?
3-(3-hydroxy-6-methyl-4-oxopyran-2-yl)-3-(1-methylpyrazol-4-yl)propanamide has a molecular weight of 277.28 g/mol, XLogP of 0.39, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxy-6-methyl-4-oxopyran-2-yl)-3-(1-methylpyrazol-4-yl)propanamide is sourced from PubChem (CID 86207489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).