6,6-dimethyl-3-propyl-5,7-dihydro-1H-indazol-4-one

C12H18N2O — CID 2276384

IUPAC6,6-dimethyl-3-propyl-5,7-dihydro-1H-indazol-4-one
SMILESCCCc1n[nH]c2c1C(=O)CC(C)(C)C2
InChIInChI=1S/C12H18N2O/c1-4-5-8-11-9(14-13-8)6-12(2,3)7-10(11)15/h4-7H2,1-3H3,(H,13,14)
InChIKeyXPVIHXUFUYYDQE-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.52
Rot. Bonds2

About 6,6-dimethyl-3-propyl-5,7-dihydro-1H-indazol-4-one

6,6-dimethyl-3-propyl-5,7-dihydro-1H-indazol-4-one (PubChem CID 2276384) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 6,6-dimethyl-3-propyl-5,7-dihydro-1H-indazol-4-one.

Molecular Properties

Compound Name6,6-dimethyl-3-propyl-5,7-dihydro-1H-indazol-4-one
PubChem CID2276384
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name6,6-dimethyl-3-propyl-5,7-dihydro-1H-indazol-4-one
SMILESCCCc1n[nH]c2c1C(=O)CC(C)(C)C2
InChIInChI=1S/C12H18N2O/c1-4-5-8-11-9(14-13-8)6-12(2,3)7-10(11)15/h4-7H2,1-3H3,(H,13,14)
InChIKeyXPVIHXUFUYYDQE-UHFFFAOYSA-N
XLogP2.52
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-3-propyl-5,7-dihydro-1H-indazol-4-one?
The IUPAC name of 6,6-dimethyl-3-propyl-5,7-dihydro-1H-indazol-4-one (CID 2276384) is 6,6-dimethyl-3-propyl-5,7-dihydro-1H-indazol-4-one.
What is the SMILES notation for 6,6-dimethyl-3-propyl-5,7-dihydro-1H-indazol-4-one?
The canonical SMILES for 6,6-dimethyl-3-propyl-5,7-dihydro-1H-indazol-4-one is CCCc1n[nH]c2c1C(=O)CC(C)(C)C2.
What is the InChIKey of 6,6-dimethyl-3-propyl-5,7-dihydro-1H-indazol-4-one?
The InChIKey is XPVIHXUFUYYDQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-4-5-8-11-9(14-13-8)6-12(2,3)7-10(11)15/h4-7H2,1-3H3,(H,13,14).
What are the key properties of 6,6-dimethyl-3-propyl-5,7-dihydro-1H-indazol-4-one?
6,6-dimethyl-3-propyl-5,7-dihydro-1H-indazol-4-one has a molecular weight of 206.29 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-3-propyl-5,7-dihydro-1H-indazol-4-one is sourced from PubChem (CID 2276384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).