2,4-dimethyl-6-oxo-N-(1,3,5-trimethylpyrazol-4-yl)pyran-3-carboxamide

C14H17N3O3 — CID 3773292

IUPAC2,4-dimethyl-6-oxo-N-(1,3,5-trimethylpyrazol-4-yl)pyran-3-carboxamide
SMILESCc1cc(=O)oc(C)c1C(=O)Nc1c(C)nn(C)c1C
InChIInChI=1S/C14H17N3O3/c1-7-6-11(18)20-10(4)12(7)14(19)15-13-8(2)16-17(5)9(13)3/h6H,1-5H3,(H,15,19)
InChIKeyRLEYTNMJCBFFIS-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.86
Rot. Bonds2

About 2,4-dimethyl-6-oxo-N-(1,3,5-trimethylpyrazol-4-yl)pyran-3-carboxamide

2,4-dimethyl-6-oxo-N-(1,3,5-trimethylpyrazol-4-yl)pyran-3-carboxamide (PubChem CID 3773292) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 2,4-dimethyl-6-oxo-N-(1,3,5-trimethylpyrazol-4-yl)pyran-3-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-6-oxo-N-(1,3,5-trimethylpyrazol-4-yl)pyran-3-carboxamide
PubChem CID3773292
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name2,4-dimethyl-6-oxo-N-(1,3,5-trimethylpyrazol-4-yl)pyran-3-carboxamide
SMILESCc1cc(=O)oc(C)c1C(=O)Nc1c(C)nn(C)c1C
InChIInChI=1S/C14H17N3O3/c1-7-6-11(18)20-10(4)12(7)14(19)15-13-8(2)16-17(5)9(13)3/h6H,1-5H3,(H,15,19)
InChIKeyRLEYTNMJCBFFIS-UHFFFAOYSA-N
XLogP1.86
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)furan-3-carboxamide
CID 24655014
5-amino-2,4-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
CID 102705170
4-bromo-1-methyl-N-(1,3,5-trimethylpyrazol-4-yl)pyrrole-2-carboxamide
CID 60698314
N-(1,3,5-trimethylpyrazol-4-yl)pyridine-4-carboxamide
CID 35283696
3-methyl-4-nitro-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
CID 9247878
1,3,5-trimethyl-N-(2,3,5,6-tetrafluorophenyl)pyrazole-4-carboxamide
CID 19281483
N-(4-cyanophenyl)-2,4-dimethyl-6-oxopyran-3-carboxamide
CID 110699384
methyl 4-[(2,4-dimethyl-6-oxopyran-3-carbonyl)amino]benzoate
CID 110699348
4-methyl-1-(3-methylbutyl)-2-oxo-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-carboxamide
CID 172660892
3-amino-N-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 64524039
2,4-dimethyl-N-[3-(1,3-oxazol-5-yl)phenyl]-6-oxopyran-3-carboxamide
CID 71865394
2-chloro-4-nitro-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
CID 60645859

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-oxo-N-(1,3,5-trimethylpyrazol-4-yl)pyran-3-carboxamide?
The IUPAC name of 2,4-dimethyl-6-oxo-N-(1,3,5-trimethylpyrazol-4-yl)pyran-3-carboxamide (CID 3773292) is 2,4-dimethyl-6-oxo-N-(1,3,5-trimethylpyrazol-4-yl)pyran-3-carboxamide.
What is the SMILES notation for 2,4-dimethyl-6-oxo-N-(1,3,5-trimethylpyrazol-4-yl)pyran-3-carboxamide?
The canonical SMILES for 2,4-dimethyl-6-oxo-N-(1,3,5-trimethylpyrazol-4-yl)pyran-3-carboxamide is Cc1cc(=O)oc(C)c1C(=O)Nc1c(C)nn(C)c1C.
What is the InChIKey of 2,4-dimethyl-6-oxo-N-(1,3,5-trimethylpyrazol-4-yl)pyran-3-carboxamide?
The InChIKey is RLEYTNMJCBFFIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-7-6-11(18)20-10(4)12(7)14(19)15-13-8(2)16-17(5)9(13)3/h6H,1-5H3,(H,15,19).
What are the key properties of 2,4-dimethyl-6-oxo-N-(1,3,5-trimethylpyrazol-4-yl)pyran-3-carboxamide?
2,4-dimethyl-6-oxo-N-(1,3,5-trimethylpyrazol-4-yl)pyran-3-carboxamide has a molecular weight of 275.31 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-oxo-N-(1,3,5-trimethylpyrazol-4-yl)pyran-3-carboxamide is sourced from PubChem (CID 3773292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).