4-ethyl-6-methyl-2,4,6,7-tetrahydro-1H-pyrano[4,3-c]pyrazol-3-one

C9H14N2O2 — CID 53300620

IUPAC4-ethyl-6-methyl-2,4,6,7-tetrahydro-1H-pyrano[4,3-c]pyrazol-3-one
SMILESCCC1OC(C)Cc2[nH][nH]c(=O)c21
InChIInChI=1S/C9H14N2O2/c1-3-7-8-6(4-5(2)13-7)10-11-9(8)12/h5,7H,3-4H2,1-2H3,(H2,10,11,12)
InChIKeyQVYSJMSWVJJUEI-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.12
Rot. Bonds1

About 4-ethyl-6-methyl-2,4,6,7-tetrahydro-1H-pyrano[4,3-c]pyrazol-3-one

4-ethyl-6-methyl-2,4,6,7-tetrahydro-1H-pyrano[4,3-c]pyrazol-3-one (PubChem CID 53300620) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 4-ethyl-6-methyl-2,4,6,7-tetrahydro-1H-pyrano[4,3-c]pyrazol-3-one.

Molecular Properties

Compound Name4-ethyl-6-methyl-2,4,6,7-tetrahydro-1H-pyrano[4,3-c]pyrazol-3-one
PubChem CID53300620
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name4-ethyl-6-methyl-2,4,6,7-tetrahydro-1H-pyrano[4,3-c]pyrazol-3-one
SMILESCCC1OC(C)Cc2[nH][nH]c(=O)c21
InChIInChI=1S/C9H14N2O2/c1-3-7-8-6(4-5(2)13-7)10-11-9(8)12/h5,7H,3-4H2,1-2H3,(H2,10,11,12)
InChIKeyQVYSJMSWVJJUEI-UHFFFAOYSA-N
XLogP1.12
TPSA57.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-6-methyl-2,4,6,7-tetrahydro-1H-pyrano[4,3-c]pyrazol-3-one?
The IUPAC name of 4-ethyl-6-methyl-2,4,6,7-tetrahydro-1H-pyrano[4,3-c]pyrazol-3-one (CID 53300620) is 4-ethyl-6-methyl-2,4,6,7-tetrahydro-1H-pyrano[4,3-c]pyrazol-3-one.
What is the SMILES notation for 4-ethyl-6-methyl-2,4,6,7-tetrahydro-1H-pyrano[4,3-c]pyrazol-3-one?
The canonical SMILES for 4-ethyl-6-methyl-2,4,6,7-tetrahydro-1H-pyrano[4,3-c]pyrazol-3-one is CCC1OC(C)Cc2[nH][nH]c(=O)c21.
What is the InChIKey of 4-ethyl-6-methyl-2,4,6,7-tetrahydro-1H-pyrano[4,3-c]pyrazol-3-one?
The InChIKey is QVYSJMSWVJJUEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-3-7-8-6(4-5(2)13-7)10-11-9(8)12/h5,7H,3-4H2,1-2H3,(H2,10,11,12).
What are the key properties of 4-ethyl-6-methyl-2,4,6,7-tetrahydro-1H-pyrano[4,3-c]pyrazol-3-one?
4-ethyl-6-methyl-2,4,6,7-tetrahydro-1H-pyrano[4,3-c]pyrazol-3-one has a molecular weight of 182.22 g/mol, XLogP of 1.12, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-6-methyl-2,4,6,7-tetrahydro-1H-pyrano[4,3-c]pyrazol-3-one is sourced from PubChem (CID 53300620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).