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

C6H8N2O2 — CID 83845420

IUPAC2,4,6,7-tetrahydro-1H-pyrano[4,3-c]pyrazol-3-one
SMILESO=c1[nH][nH]c2c1COCC2
InChIInChI=1S/C6H8N2O2/c9-6-4-3-10-2-1-5(4)7-8-6/h1-3H2,(H2,7,8,9)
InChIKeyMKAPPCBYBRKQJV-UHFFFAOYSA-N
MW140.14 g/mol
LogP-0.22
Rot. Bonds

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

2,4,6,7-tetrahydro-1H-pyrano[4,3-c]pyrazol-3-one (PubChem CID 83845420) has the molecular formula C6H8N2O2 and a molecular weight of 140.14 g/mol. Its IUPAC name is 2,4,6,7-tetrahydro-1H-pyrano[4,3-c]pyrazol-3-one.

Molecular Properties

Compound Name2,4,6,7-tetrahydro-1H-pyrano[4,3-c]pyrazol-3-one
PubChem CID83845420
Molecular FormulaC6H8N2O2
Molecular Weight140.14 g/mol
Exact Mass140.06
IUPAC Name2,4,6,7-tetrahydro-1H-pyrano[4,3-c]pyrazol-3-one
SMILESO=c1[nH][nH]c2c1COCC2
InChIInChI=1S/C6H8N2O2/c9-6-4-3-10-2-1-5(4)7-8-6/h1-3H2,(H2,7,8,9)
InChIKeyMKAPPCBYBRKQJV-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

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

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Launch Full Analysis

Related Compounds

4-ethyl-6-methyl-2,4,6,7-tetrahydro-1H-pyrano[4,3-c]pyrazol-3-one
CID 53300620
(4S,6R)-4,6-dimethyl-2,4,6,7-tetrahydro-1H-pyrano[4,3-c]pyrazol-3-one
CID 53300583
4,6-diethyl-2,4,6,7-tetrahydro-1H-pyrano[4,3-c]pyrazol-3-one
CID 53300623
2-Methyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-one
CID 83872715
2,4,5,7-tetrahydro-1H-pyrano[3,4-c]pyrazol-3-one
CID 105428111
2-Ethyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-one
CID 105433735
1-Methyl-2,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-one
CID 83845629
1-Ethyl-2,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-one
CID 105433731
3-oxo-2,4,6,7-tetrahydro-1H-pyrano[4,3-c]pyrazole-7-carboxylic acid
CID 105440926
1-Tert-butyl-2,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-one
CID 105449955
2-Tert-butyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-one
CID 105449961

Frequently Asked Questions

What is the IUPAC name of 2,4,6,7-tetrahydro-1H-pyrano[4,3-c]pyrazol-3-one?
The IUPAC name of 2,4,6,7-tetrahydro-1H-pyrano[4,3-c]pyrazol-3-one (CID 83845420) is 2,4,6,7-tetrahydro-1H-pyrano[4,3-c]pyrazol-3-one.
What is the SMILES notation for 2,4,6,7-tetrahydro-1H-pyrano[4,3-c]pyrazol-3-one?
The canonical SMILES for 2,4,6,7-tetrahydro-1H-pyrano[4,3-c]pyrazol-3-one is O=c1[nH][nH]c2c1COCC2.
What is the InChIKey of 2,4,6,7-tetrahydro-1H-pyrano[4,3-c]pyrazol-3-one?
The InChIKey is MKAPPCBYBRKQJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2/c9-6-4-3-10-2-1-5(4)7-8-6/h1-3H2,(H2,7,8,9).
What are the key properties of 2,4,6,7-tetrahydro-1H-pyrano[4,3-c]pyrazol-3-one?
2,4,6,7-tetrahydro-1H-pyrano[4,3-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 2,4,6,7-tetrahydro-1H-pyrano[4,3-c]pyrazol-3-one is sourced from PubChem (CID 83845420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).