4,6-dimethyl-2,4,5,6-tetrahydro-1H-pyrrolo[3,4-c]pyrazol-3-one

C7H11N3O — CID 45121491

IUPAC4,6-dimethyl-2,4,5,6-tetrahydro-1H-pyrrolo[3,4-c]pyrazol-3-one
SMILESCC1NC(C)c2c1[nH][nH]c2=O
InChIInChI=1S/C7H11N3O/c1-3-5-6(4(2)8-3)9-10-7(5)11/h3-4,8H,1-2H3,(H2,9,10,11)
InChIKeyWVUOMBXSERHHOX-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.43
Rot. Bonds

About 4,6-dimethyl-2,4,5,6-tetrahydro-1H-pyrrolo[3,4-c]pyrazol-3-one

4,6-dimethyl-2,4,5,6-tetrahydro-1H-pyrrolo[3,4-c]pyrazol-3-one (PubChem CID 45121491) has the molecular formula C7H11N3O and a molecular weight of 153.18 g/mol. Its IUPAC name is 4,6-dimethyl-2,4,5,6-tetrahydro-1H-pyrrolo[3,4-c]pyrazol-3-one.

Molecular Properties

Compound Name4,6-dimethyl-2,4,5,6-tetrahydro-1H-pyrrolo[3,4-c]pyrazol-3-one
PubChem CID45121491
Molecular FormulaC7H11N3O
Molecular Weight153.18 g/mol
Exact Mass153.09
IUPAC Name4,6-dimethyl-2,4,5,6-tetrahydro-1H-pyrrolo[3,4-c]pyrazol-3-one
SMILESCC1NC(C)c2c1[nH][nH]c2=O
InChIInChI=1S/C7H11N3O/c1-3-5-6(4(2)8-3)9-10-7(5)11/h3-4,8H,1-2H3,(H2,9,10,11)
InChIKeyWVUOMBXSERHHOX-UHFFFAOYSA-N
XLogP0.43
TPSA60.68 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2,4,5,6-tetrahydro-1H-pyrrolo[3,4-c]pyrazol-3-one?
The IUPAC name of 4,6-dimethyl-2,4,5,6-tetrahydro-1H-pyrrolo[3,4-c]pyrazol-3-one (CID 45121491) is 4,6-dimethyl-2,4,5,6-tetrahydro-1H-pyrrolo[3,4-c]pyrazol-3-one.
What is the SMILES notation for 4,6-dimethyl-2,4,5,6-tetrahydro-1H-pyrrolo[3,4-c]pyrazol-3-one?
The canonical SMILES for 4,6-dimethyl-2,4,5,6-tetrahydro-1H-pyrrolo[3,4-c]pyrazol-3-one is CC1NC(C)c2c1[nH][nH]c2=O.
What is the InChIKey of 4,6-dimethyl-2,4,5,6-tetrahydro-1H-pyrrolo[3,4-c]pyrazol-3-one?
The InChIKey is WVUOMBXSERHHOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c1-3-5-6(4(2)8-3)9-10-7(5)11/h3-4,8H,1-2H3,(H2,9,10,11).
What are the key properties of 4,6-dimethyl-2,4,5,6-tetrahydro-1H-pyrrolo[3,4-c]pyrazol-3-one?
4,6-dimethyl-2,4,5,6-tetrahydro-1H-pyrrolo[3,4-c]pyrazol-3-one has a molecular weight of 153.18 g/mol, XLogP of 0.43, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2,4,5,6-tetrahydro-1H-pyrrolo[3,4-c]pyrazol-3-one is sourced from PubChem (CID 45121491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).