2-ethoxy-N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]acetamide

C12H19N3O3 — CID 72718825

IUPAC2-ethoxy-N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]acetamide
SMILESCCOCC(=O)NCc1nn(C)c2c1COCC2
InChIInChI=1S/C12H19N3O3/c1-3-17-8-12(16)13-6-10-9-7-18-5-4-11(9)15(2)14-10/h3-8H2,1-2H3,(H,13,16)
InChIKeyZSNQGKWVHDEIKY-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.15
Rot. Bonds5

About 2-ethoxy-N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]acetamide

2-ethoxy-N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]acetamide (PubChem CID 72718825) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-ethoxy-N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-ethoxy-N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]acetamide
PubChem CID72718825
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name2-ethoxy-N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]acetamide
SMILESCCOCC(=O)NCc1nn(C)c2c1COCC2
InChIInChI=1S/C12H19N3O3/c1-3-17-8-12(16)13-6-10-9-7-18-5-4-11(9)15(2)14-10/h3-8H2,1-2H3,(H,13,16)
InChIKeyZSNQGKWVHDEIKY-UHFFFAOYSA-N
XLogP0.15
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]acetamide?
The IUPAC name of 2-ethoxy-N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]acetamide (CID 72718825) is 2-ethoxy-N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]acetamide.
What is the SMILES notation for 2-ethoxy-N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]acetamide?
The canonical SMILES for 2-ethoxy-N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]acetamide is CCOCC(=O)NCc1nn(C)c2c1COCC2.
What is the InChIKey of 2-ethoxy-N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]acetamide?
The InChIKey is ZSNQGKWVHDEIKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-3-17-8-12(16)13-6-10-9-7-18-5-4-11(9)15(2)14-10/h3-8H2,1-2H3,(H,13,16).
What are the key properties of 2-ethoxy-N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]acetamide?
2-ethoxy-N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]acetamide has a molecular weight of 253.30 g/mol, XLogP of 0.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]acetamide is sourced from PubChem (CID 72718825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).