1,3-di(propan-2-yl)-6,7-dihydro-5H-indazol-4-one

C13H20N2O — CID 82590514

IUPAC1,3-di(propan-2-yl)-6,7-dihydro-5H-indazol-4-one
SMILESCC(C)c1nn(C(C)C)c2c1C(=O)CCC2
InChIInChI=1S/C13H20N2O/c1-8(2)13-12-10(6-5-7-11(12)16)15(14-13)9(3)4/h8-9H,5-7H2,1-4H3
InChIKeySNEPMYVOLWBILY-UHFFFAOYSA-N
MW220.32 g/mol
LogP3.11
Rot. Bonds2

About 1,3-di(propan-2-yl)-6,7-dihydro-5H-indazol-4-one

1,3-di(propan-2-yl)-6,7-dihydro-5H-indazol-4-one (PubChem CID 82590514) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 1,3-di(propan-2-yl)-6,7-dihydro-5H-indazol-4-one.

Molecular Properties

Compound Name1,3-di(propan-2-yl)-6,7-dihydro-5H-indazol-4-one
PubChem CID82590514
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name1,3-di(propan-2-yl)-6,7-dihydro-5H-indazol-4-one
SMILESCC(C)c1nn(C(C)C)c2c1C(=O)CCC2
InChIInChI=1S/C13H20N2O/c1-8(2)13-12-10(6-5-7-11(12)16)15(14-13)9(3)4/h8-9H,5-7H2,1-4H3
InChIKeySNEPMYVOLWBILY-UHFFFAOYSA-N
XLogP3.11
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-di(propan-2-yl)-6,7-dihydro-5H-indazol-4-one?
The IUPAC name of 1,3-di(propan-2-yl)-6,7-dihydro-5H-indazol-4-one (CID 82590514) is 1,3-di(propan-2-yl)-6,7-dihydro-5H-indazol-4-one.
What is the SMILES notation for 1,3-di(propan-2-yl)-6,7-dihydro-5H-indazol-4-one?
The canonical SMILES for 1,3-di(propan-2-yl)-6,7-dihydro-5H-indazol-4-one is CC(C)c1nn(C(C)C)c2c1C(=O)CCC2.
What is the InChIKey of 1,3-di(propan-2-yl)-6,7-dihydro-5H-indazol-4-one?
The InChIKey is SNEPMYVOLWBILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-8(2)13-12-10(6-5-7-11(12)16)15(14-13)9(3)4/h8-9H,5-7H2,1-4H3.
What are the key properties of 1,3-di(propan-2-yl)-6,7-dihydro-5H-indazol-4-one?
1,3-di(propan-2-yl)-6,7-dihydro-5H-indazol-4-one has a molecular weight of 220.32 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-di(propan-2-yl)-6,7-dihydro-5H-indazol-4-one is sourced from PubChem (CID 82590514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).