2,4,5,7-tetrahydro-1H-pyrano[3,4-c]pyrazol-3-one

C6H8N2O2 — CID 105428111

IUPAC2,4,5,7-tetrahydro-1H-pyrano[3,4-c]pyrazol-3-one
SMILESO=c1[nH][nH]c2c1CCOC2
InChIInChI=1S/C6H8N2O2/c9-6-4-1-2-10-3-5(4)7-8-6/h1-3H2,(H2,7,8,9)
InChIKeyRASUQNKPNJQOTH-UHFFFAOYSA-N
MW140.14 g/mol
LogP-0.22
Rot. Bonds

About 2,4,5,7-tetrahydro-1H-pyrano[3,4-c]pyrazol-3-one

2,4,5,7-tetrahydro-1H-pyrano[3,4-c]pyrazol-3-one (PubChem CID 105428111) has the molecular formula C6H8N2O2 and a molecular weight of 140.14 g/mol. Its IUPAC name is 2,4,5,7-tetrahydro-1H-pyrano[3,4-c]pyrazol-3-one.

Molecular Properties

Compound Name2,4,5,7-tetrahydro-1H-pyrano[3,4-c]pyrazol-3-one
PubChem CID105428111
Molecular FormulaC6H8N2O2
Molecular Weight140.14 g/mol
Exact Mass140.06
IUPAC Name2,4,5,7-tetrahydro-1H-pyrano[3,4-c]pyrazol-3-one
SMILESO=c1[nH][nH]c2c1CCOC2
InChIInChI=1S/C6H8N2O2/c9-6-4-1-2-10-3-5(4)7-8-6/h1-3H2,(H2,7,8,9)
InChIKeyRASUQNKPNJQOTH-UHFFFAOYSA-N
XLogP-0.22
TPSA57.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4,5,7-tetrahydro-1H-pyrano[3,4-c]pyrazol-3-one?
The IUPAC name of 2,4,5,7-tetrahydro-1H-pyrano[3,4-c]pyrazol-3-one (CID 105428111) is 2,4,5,7-tetrahydro-1H-pyrano[3,4-c]pyrazol-3-one.
What is the SMILES notation for 2,4,5,7-tetrahydro-1H-pyrano[3,4-c]pyrazol-3-one?
The canonical SMILES for 2,4,5,7-tetrahydro-1H-pyrano[3,4-c]pyrazol-3-one is O=c1[nH][nH]c2c1CCOC2.
What is the InChIKey of 2,4,5,7-tetrahydro-1H-pyrano[3,4-c]pyrazol-3-one?
The InChIKey is RASUQNKPNJQOTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2/c9-6-4-1-2-10-3-5(4)7-8-6/h1-3H2,(H2,7,8,9).
What are the key properties of 2,4,5,7-tetrahydro-1H-pyrano[3,4-c]pyrazol-3-one?
2,4,5,7-tetrahydro-1H-pyrano[3,4-c]pyrazol-3-one has a molecular weight of 140.14 g/mol, XLogP of -0.22, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5,7-tetrahydro-1H-pyrano[3,4-c]pyrazol-3-one is sourced from PubChem (CID 105428111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).