2-ethyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-one

C8H12N2O2 — CID 105433735

IUPAC2-ethyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-one
SMILESCCn1[nH]c2c(c1=O)COCC2
InChIInChI=1S/C8H12N2O2/c1-2-10-8(11)6-5-12-4-3-7(6)9-10/h9H,2-5H2,1H3
InChIKeyOJKORUSZEGZZOI-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.27
Rot. Bonds1

About 2-ethyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-one

2-ethyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-one (PubChem CID 105433735) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 2-ethyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-one.

Molecular Properties

Compound Name2-ethyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-one
PubChem CID105433735
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name2-ethyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-one
SMILESCCn1[nH]c2c(c1=O)COCC2
InChIInChI=1S/C8H12N2O2/c1-2-10-8(11)6-5-12-4-3-7(6)9-10/h9H,2-5H2,1H3
InChIKeyOJKORUSZEGZZOI-UHFFFAOYSA-N
XLogP0.27
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4,6,7-tetrahydro-1H-pyrano[4,3-c]pyrazol-3-one
CID 83845420
2-Methyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-one
CID 83872715
1-Cyclopropyl-2,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-one
CID 105438678
2-Propan-2-yl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-one
CID 105440025
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
2-Ethyl-1,4,5,7-tetrahydropyrano[3,4-c]pyrazol-3-one
CID 105433734
2-Cyclopropyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-one
CID 105438685
1-Propan-2-yl-2,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-one
CID 105440020
2-Propan-2-yl-1,4,5,7-tetrahydropyrano[3,4-c]pyrazol-3-one
CID 105440024
2-(2-Aminoethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-one
CID 105440531
2-(2-Hydroxyethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-one
CID 105441011

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-one?
The IUPAC name of 2-ethyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-one (CID 105433735) is 2-ethyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-one.
What is the SMILES notation for 2-ethyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-one?
The canonical SMILES for 2-ethyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-one is CCn1[nH]c2c(c1=O)COCC2.
What is the InChIKey of 2-ethyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-one?
The InChIKey is OJKORUSZEGZZOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-2-10-8(11)6-5-12-4-3-7(6)9-10/h9H,2-5H2,1H3.
What are the key properties of 2-ethyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-one?
2-ethyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-one has a molecular weight of 168.20 g/mol, XLogP of 0.27, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-one is sourced from PubChem (CID 105433735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).