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

C8H13N3O — CID 83845987

IUPAC5-propan-2-yl-1,2,4,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one
SMILESCC(C)N1Cc2[nH][nH]c(=O)c2C1
InChIInChI=1S/C8H13N3O/c1-5(2)11-3-6-7(4-11)9-10-8(6)12/h5H,3-4H2,1-2H3,(H2,9,10,12)
InChIKeyVAIYNSPOUOZQJM-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.43
Rot. Bonds1

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

5-propan-2-yl-1,2,4,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one (PubChem CID 83845987) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 5-propan-2-yl-1,2,4,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one.

Molecular Properties

Compound Name5-propan-2-yl-1,2,4,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one
PubChem CID83845987
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name5-propan-2-yl-1,2,4,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one
SMILESCC(C)N1Cc2[nH][nH]c(=O)c2C1
InChIInChI=1S/C8H13N3O/c1-5(2)11-3-6-7(4-11)9-10-8(6)12/h5H,3-4H2,1-2H3,(H2,9,10,12)
InChIKeyVAIYNSPOUOZQJM-UHFFFAOYSA-N
XLogP0.43
TPSA51.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;5-methyl-2,4,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-one
CID 145046733
3-amino-6-propan-2-yl-5,7-dihydro-1H-pyrrolo[3,4-b]pyridin-2-one
CID 105447221
1-tert-butyl-4-propan-2-ylpiperazine-2,6-dione
CID 59551071
6-propan-2-yl-1,4,5,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridin-3-one
CID 83846754
3-(disulfanyl)-5-propan-2-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole
CID 135296140
3,11-di(propan-2-yl)-6-sulfanylidene-1,3,5,7,11-pentazatricyclo[7.3.1.05,13]tridec-9(13)-en-8-one
CID 71612775
6-methylidene-4-propan-2-ylpiperazin-2-one
CID 118188184
5-propan-2-yl-4,6-dihydro-1H-pyrrolo[3,4-b]pyrrole
CID 130260798
5-propan-2-yl-1-prop-1-en-2-yl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one
CID 142546665
3,5-di(propan-2-yl)-4,6-dihydrothieno[3,4-c]pyrrole
CID 176640371
(3Z)-3,5-bis[(4-fluorophenyl)methylidene]-1-propan-2-ylpiperidin-4-one
CID 7007670
6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridin-4-amine
CID 137417876

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-1,2,4,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one?
The IUPAC name of 5-propan-2-yl-1,2,4,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one (CID 83845987) is 5-propan-2-yl-1,2,4,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one.
What is the SMILES notation for 5-propan-2-yl-1,2,4,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one?
The canonical SMILES for 5-propan-2-yl-1,2,4,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one is CC(C)N1Cc2[nH][nH]c(=O)c2C1.
What is the InChIKey of 5-propan-2-yl-1,2,4,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one?
The InChIKey is VAIYNSPOUOZQJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-5(2)11-3-6-7(4-11)9-10-8(6)12/h5H,3-4H2,1-2H3,(H2,9,10,12).
What are the key properties of 5-propan-2-yl-1,2,4,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one?
5-propan-2-yl-1,2,4,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one has a molecular weight of 167.21 g/mol, XLogP of 0.43, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-1,2,4,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one is sourced from PubChem (CID 83845987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).