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

C10H16N2O2 — CID 53300623

IUPAC4,6-diethyl-2,4,6,7-tetrahydro-1H-pyrano[4,3-c]pyrazol-3-one
SMILESCCC1Cc2[nH][nH]c(=O)c2C(CC)O1
InChIInChI=1S/C10H16N2O2/c1-3-6-5-7-9(8(4-2)14-6)10(13)12-11-7/h6,8H,3-5H2,1-2H3,(H2,11,12,13)
InChIKeyQBGBKKNKDMNHKQ-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.51
Rot. Bonds2

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

4,6-diethyl-2,4,6,7-tetrahydro-1H-pyrano[4,3-c]pyrazol-3-one (PubChem CID 53300623) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 4,6-diethyl-2,4,6,7-tetrahydro-1H-pyrano[4,3-c]pyrazol-3-one.

Molecular Properties

Compound Name4,6-diethyl-2,4,6,7-tetrahydro-1H-pyrano[4,3-c]pyrazol-3-one
PubChem CID53300623
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name4,6-diethyl-2,4,6,7-tetrahydro-1H-pyrano[4,3-c]pyrazol-3-one
SMILESCCC1Cc2[nH][nH]c(=O)c2C(CC)O1
InChIInChI=1S/C10H16N2O2/c1-3-6-5-7-9(8(4-2)14-6)10(13)12-11-7/h6,8H,3-5H2,1-2H3,(H2,11,12,13)
InChIKeyQBGBKKNKDMNHKQ-UHFFFAOYSA-N
XLogP1.51
TPSA57.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,6-diethyl-2,4,6,7-tetrahydro-1H-pyrano[4,3-c]pyrazol-3-one?
The IUPAC name of 4,6-diethyl-2,4,6,7-tetrahydro-1H-pyrano[4,3-c]pyrazol-3-one (CID 53300623) is 4,6-diethyl-2,4,6,7-tetrahydro-1H-pyrano[4,3-c]pyrazol-3-one.
What is the SMILES notation for 4,6-diethyl-2,4,6,7-tetrahydro-1H-pyrano[4,3-c]pyrazol-3-one?
The canonical SMILES for 4,6-diethyl-2,4,6,7-tetrahydro-1H-pyrano[4,3-c]pyrazol-3-one is CCC1Cc2[nH][nH]c(=O)c2C(CC)O1.
What is the InChIKey of 4,6-diethyl-2,4,6,7-tetrahydro-1H-pyrano[4,3-c]pyrazol-3-one?
The InChIKey is QBGBKKNKDMNHKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-3-6-5-7-9(8(4-2)14-6)10(13)12-11-7/h6,8H,3-5H2,1-2H3,(H2,11,12,13).
What are the key properties of 4,6-diethyl-2,4,6,7-tetrahydro-1H-pyrano[4,3-c]pyrazol-3-one?
4,6-diethyl-2,4,6,7-tetrahydro-1H-pyrano[4,3-c]pyrazol-3-one has a molecular weight of 196.25 g/mol, XLogP of 1.51, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diethyl-2,4,6,7-tetrahydro-1H-pyrano[4,3-c]pyrazol-3-one is sourced from PubChem (CID 53300623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).