2-ethyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one

C7H11N3O — CID 105429910

IUPAC2-ethyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one
SMILESCCn1[nH]c2c(c1=O)CNC2
InChIInChI=1S/C7H11N3O/c1-2-10-7(11)5-3-8-4-6(5)9-10/h8-9H,2-4H2,1H3
InChIKeyHZBOHZDZZDISFE-UHFFFAOYSA-N
MW153.18 g/mol
LogP-0.20
Rot. Bonds1

About 2-ethyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one

2-ethyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one (PubChem CID 105429910) has the molecular formula C7H11N3O and a molecular weight of 153.18 g/mol. Its IUPAC name is 2-ethyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one.

Molecular Properties

Compound Name2-ethyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one
PubChem CID105429910
Molecular FormulaC7H11N3O
Molecular Weight153.18 g/mol
Exact Mass153.09
IUPAC Name2-ethyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one
SMILESCCn1[nH]c2c(c1=O)CNC2
InChIInChI=1S/C7H11N3O/c1-2-10-7(11)5-3-8-4-6(5)9-10/h8-9H,2-4H2,1H3
InChIKeyHZBOHZDZZDISFE-UHFFFAOYSA-N
XLogP-0.20
TPSA49.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one?
The IUPAC name of 2-ethyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one (CID 105429910) is 2-ethyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one.
What is the SMILES notation for 2-ethyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one?
The canonical SMILES for 2-ethyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one is CCn1[nH]c2c(c1=O)CNC2.
What is the InChIKey of 2-ethyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one?
The InChIKey is HZBOHZDZZDISFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c1-2-10-7(11)5-3-8-4-6(5)9-10/h8-9H,2-4H2,1H3.
What are the key properties of 2-ethyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one?
2-ethyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one has a molecular weight of 153.18 g/mol, XLogP of -0.20, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one is sourced from PubChem (CID 105429910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).