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

C8H13N3O — CID 115013277

IUPAC2-ethyl-4-methyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one
SMILESCCn1[nH]c2c(c1=O)C(C)NC2
InChIInChI=1S/C8H13N3O/c1-3-11-8(12)7-5(2)9-4-6(7)10-11/h5,9-10H,3-4H2,1-2H3
InChIKeyUZNQHQLKBJBPPS-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.36
Rot. Bonds1

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

2-ethyl-4-methyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one (PubChem CID 115013277) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 2-ethyl-4-methyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one.

Molecular Properties

Compound Name2-ethyl-4-methyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one
PubChem CID115013277
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name2-ethyl-4-methyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one
SMILESCCn1[nH]c2c(c1=O)C(C)NC2
InChIInChI=1S/C8H13N3O/c1-3-11-8(12)7-5(2)9-4-6(7)10-11/h5,9-10H,3-4H2,1-2H3
InChIKeyUZNQHQLKBJBPPS-UHFFFAOYSA-N
XLogP0.36
TPSA49.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-methyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one?
The IUPAC name of 2-ethyl-4-methyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one (CID 115013277) is 2-ethyl-4-methyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one.
What is the SMILES notation for 2-ethyl-4-methyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one?
The canonical SMILES for 2-ethyl-4-methyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one is CCn1[nH]c2c(c1=O)C(C)NC2.
What is the InChIKey of 2-ethyl-4-methyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one?
The InChIKey is UZNQHQLKBJBPPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-3-11-8(12)7-5(2)9-4-6(7)10-11/h5,9-10H,3-4H2,1-2H3.
What are the key properties of 2-ethyl-4-methyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one?
2-ethyl-4-methyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one has a molecular weight of 167.21 g/mol, XLogP of 0.36, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-methyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one is sourced from PubChem (CID 115013277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).