6-methyl-N-[1-(2-methylpyrazol-3-yl)propyl]-4-oxopyran-2-carboxamide

C14H17N3O3 — CID 91777016

IUPAC6-methyl-N-[1-(2-methylpyrazol-3-yl)propyl]-4-oxopyran-2-carboxamide
SMILESCCC(NC(=O)c1cc(=O)cc(C)o1)c1ccnn1C
InChIInChI=1S/C14H17N3O3/c1-4-11(12-5-6-15-17(12)3)16-14(19)13-8-10(18)7-9(2)20-13/h5-8,11H,4H2,1-3H3,(H,16,19)
InChIKeyLLMPFDDQRWJZOX-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.56
Rot. Bonds4

About 6-methyl-N-[1-(2-methylpyrazol-3-yl)propyl]-4-oxopyran-2-carboxamide

6-methyl-N-[1-(2-methylpyrazol-3-yl)propyl]-4-oxopyran-2-carboxamide (PubChem CID 91777016) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 6-methyl-N-[1-(2-methylpyrazol-3-yl)propyl]-4-oxopyran-2-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[1-(2-methylpyrazol-3-yl)propyl]-4-oxopyran-2-carboxamide
PubChem CID91777016
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name6-methyl-N-[1-(2-methylpyrazol-3-yl)propyl]-4-oxopyran-2-carboxamide
SMILESCCC(NC(=O)c1cc(=O)cc(C)o1)c1ccnn1C
InChIInChI=1S/C14H17N3O3/c1-4-11(12-5-6-15-17(12)3)16-14(19)13-8-10(18)7-9(2)20-13/h5-8,11H,4H2,1-3H3,(H,16,19)
InChIKeyLLMPFDDQRWJZOX-UHFFFAOYSA-N
XLogP1.56
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[1-(2-methylpyrazol-3-yl)propyl]-4-oxopyran-2-carboxamide?
The IUPAC name of 6-methyl-N-[1-(2-methylpyrazol-3-yl)propyl]-4-oxopyran-2-carboxamide (CID 91777016) is 6-methyl-N-[1-(2-methylpyrazol-3-yl)propyl]-4-oxopyran-2-carboxamide.
What is the SMILES notation for 6-methyl-N-[1-(2-methylpyrazol-3-yl)propyl]-4-oxopyran-2-carboxamide?
The canonical SMILES for 6-methyl-N-[1-(2-methylpyrazol-3-yl)propyl]-4-oxopyran-2-carboxamide is CCC(NC(=O)c1cc(=O)cc(C)o1)c1ccnn1C.
What is the InChIKey of 6-methyl-N-[1-(2-methylpyrazol-3-yl)propyl]-4-oxopyran-2-carboxamide?
The InChIKey is LLMPFDDQRWJZOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-4-11(12-5-6-15-17(12)3)16-14(19)13-8-10(18)7-9(2)20-13/h5-8,11H,4H2,1-3H3,(H,16,19).
What are the key properties of 6-methyl-N-[1-(2-methylpyrazol-3-yl)propyl]-4-oxopyran-2-carboxamide?
6-methyl-N-[1-(2-methylpyrazol-3-yl)propyl]-4-oxopyran-2-carboxamide has a molecular weight of 275.31 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[1-(2-methylpyrazol-3-yl)propyl]-4-oxopyran-2-carboxamide is sourced from PubChem (CID 91777016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).