1-propan-2-yl-2,4,5,7-tetrahydropyrano[3,4-c]pyrazol-3-one

C9H14N2O2 — CID 105440023

IUPAC1-propan-2-yl-2,4,5,7-tetrahydropyrano[3,4-c]pyrazol-3-one
SMILESCC(C)n1[nH]c(=O)c2c1COCC2
InChIInChI=1S/C9H14N2O2/c1-6(2)11-8-5-13-4-3-7(8)9(12)10-11/h6H,3-5H2,1-2H3,(H,10,12)
InChIKeyJEPQIQDTZRKVHX-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.83
Rot. Bonds1

About 1-propan-2-yl-2,4,5,7-tetrahydropyrano[3,4-c]pyrazol-3-one

1-propan-2-yl-2,4,5,7-tetrahydropyrano[3,4-c]pyrazol-3-one (PubChem CID 105440023) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 1-propan-2-yl-2,4,5,7-tetrahydropyrano[3,4-c]pyrazol-3-one.

Molecular Properties

Compound Name1-propan-2-yl-2,4,5,7-tetrahydropyrano[3,4-c]pyrazol-3-one
PubChem CID105440023
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name1-propan-2-yl-2,4,5,7-tetrahydropyrano[3,4-c]pyrazol-3-one
SMILESCC(C)n1[nH]c(=O)c2c1COCC2
InChIInChI=1S/C9H14N2O2/c1-6(2)11-8-5-13-4-3-7(8)9(12)10-11/h6H,3-5H2,1-2H3,(H,10,12)
InChIKeyJEPQIQDTZRKVHX-UHFFFAOYSA-N
XLogP0.83
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4,5,7-tetrahydro-1H-pyrano[3,4-c]pyrazol-3-one
CID 105428111
3-Ethyl-1,4,6,7-tetrahydropyrazolo[5,1-c][1,4]oxazin-2-one
CID 131980242
1-Methyl-2,4,5,7-tetrahydropyrano[3,4-c]pyrazol-3-one
CID 105430049
2-Methyl-1,4,5,7-tetrahydropyrano[3,4-c]pyrazol-3-one
CID 105430050
1-Ethyl-2,4,5,7-tetrahydropyrano[3,4-c]pyrazol-3-one
CID 105433733
2-Ethyl-1,4,5,7-tetrahydropyrano[3,4-c]pyrazol-3-one
CID 105433734
1-Cyclopropyl-2,4,5,7-tetrahydropyrano[3,4-c]pyrazol-3-one
CID 105438681
2-Cyclopropyl-1,4,5,7-tetrahydropyrano[3,4-c]pyrazol-3-one
CID 105438683
2-Propan-2-yl-1,4,5,7-tetrahydropyrano[3,4-c]pyrazol-3-one
CID 105440024
2-(2-Aminoethyl)-1,4,5,7-tetrahydropyrano[3,4-c]pyrazol-3-one
CID 105440530
2-(2-Hydroxyethyl)-1,4,5,7-tetrahydropyrano[3,4-c]pyrazol-3-one
CID 105441010
1-Cyclobutyl-2,4,5,7-tetrahydropyrano[3,4-c]pyrazol-3-one
CID 105448118

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-2,4,5,7-tetrahydropyrano[3,4-c]pyrazol-3-one?
The IUPAC name of 1-propan-2-yl-2,4,5,7-tetrahydropyrano[3,4-c]pyrazol-3-one (CID 105440023) is 1-propan-2-yl-2,4,5,7-tetrahydropyrano[3,4-c]pyrazol-3-one.
What is the SMILES notation for 1-propan-2-yl-2,4,5,7-tetrahydropyrano[3,4-c]pyrazol-3-one?
The canonical SMILES for 1-propan-2-yl-2,4,5,7-tetrahydropyrano[3,4-c]pyrazol-3-one is CC(C)n1[nH]c(=O)c2c1COCC2.
What is the InChIKey of 1-propan-2-yl-2,4,5,7-tetrahydropyrano[3,4-c]pyrazol-3-one?
The InChIKey is JEPQIQDTZRKVHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-6(2)11-8-5-13-4-3-7(8)9(12)10-11/h6H,3-5H2,1-2H3,(H,10,12).
What are the key properties of 1-propan-2-yl-2,4,5,7-tetrahydropyrano[3,4-c]pyrazol-3-one?
1-propan-2-yl-2,4,5,7-tetrahydropyrano[3,4-c]pyrazol-3-one has a molecular weight of 182.22 g/mol, XLogP of 0.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-2,4,5,7-tetrahydropyrano[3,4-c]pyrazol-3-one is sourced from PubChem (CID 105440023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).