2-propan-2-yl-5,6,7,8-tetrahydro-1H-pyrazolo[4,3-b]indolizin-3-one

C12H17N3O — CID 58043966

IUPAC2-propan-2-yl-5,6,7,8-tetrahydro-1H-pyrazolo[4,3-b]indolizin-3-one
SMILESCC(C)n1[nH]c2c(cc3n2CCCC3)c1=O
InChIInChI=1S/C12H17N3O/c1-8(2)15-12(16)10-7-9-5-3-4-6-14(9)11(10)13-15/h7-8,13H,3-6H2,1-2H3
InChIKeyUFTRICZHIBDESA-UHFFFAOYSA-N
MW219.29 g/mol
LogP2.05
Rot. Bonds1

About 2-propan-2-yl-5,6,7,8-tetrahydro-1H-pyrazolo[4,3-b]indolizin-3-one

2-propan-2-yl-5,6,7,8-tetrahydro-1H-pyrazolo[4,3-b]indolizin-3-one (PubChem CID 58043966) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 2-propan-2-yl-5,6,7,8-tetrahydro-1H-pyrazolo[4,3-b]indolizin-3-one.

Molecular Properties

Compound Name2-propan-2-yl-5,6,7,8-tetrahydro-1H-pyrazolo[4,3-b]indolizin-3-one
PubChem CID58043966
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name2-propan-2-yl-5,6,7,8-tetrahydro-1H-pyrazolo[4,3-b]indolizin-3-one
SMILESCC(C)n1[nH]c2c(cc3n2CCCC3)c1=O
InChIInChI=1S/C12H17N3O/c1-8(2)15-12(16)10-7-9-5-3-4-6-14(9)11(10)13-15/h7-8,13H,3-6H2,1-2H3
InChIKeyUFTRICZHIBDESA-UHFFFAOYSA-N
XLogP2.05
TPSA42.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-5,6,7,8-tetrahydro-1H-pyrazolo[4,3-b]indolizin-3-one?
The IUPAC name of 2-propan-2-yl-5,6,7,8-tetrahydro-1H-pyrazolo[4,3-b]indolizin-3-one (CID 58043966) is 2-propan-2-yl-5,6,7,8-tetrahydro-1H-pyrazolo[4,3-b]indolizin-3-one.
What is the SMILES notation for 2-propan-2-yl-5,6,7,8-tetrahydro-1H-pyrazolo[4,3-b]indolizin-3-one?
The canonical SMILES for 2-propan-2-yl-5,6,7,8-tetrahydro-1H-pyrazolo[4,3-b]indolizin-3-one is CC(C)n1[nH]c2c(cc3n2CCCC3)c1=O.
What is the InChIKey of 2-propan-2-yl-5,6,7,8-tetrahydro-1H-pyrazolo[4,3-b]indolizin-3-one?
The InChIKey is UFTRICZHIBDESA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-8(2)15-12(16)10-7-9-5-3-4-6-14(9)11(10)13-15/h7-8,13H,3-6H2,1-2H3.
What are the key properties of 2-propan-2-yl-5,6,7,8-tetrahydro-1H-pyrazolo[4,3-b]indolizin-3-one?
2-propan-2-yl-5,6,7,8-tetrahydro-1H-pyrazolo[4,3-b]indolizin-3-one has a molecular weight of 219.29 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-5,6,7,8-tetrahydro-1H-pyrazolo[4,3-b]indolizin-3-one is sourced from PubChem (CID 58043966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).