3-[4-(dimethylamino)phenyl]-6,6-dimethyl-5,7-dihydro-1H-indazol-4-one

C17H21N3O — CID 3275143

IUPAC3-[4-(dimethylamino)phenyl]-6,6-dimethyl-5,7-dihydro-1H-indazol-4-one
SMILESCN(C)c1ccc(-c2n[nH]c3c2C(=O)CC(C)(C)C3)cc1
InChIInChI=1S/C17H21N3O/c1-17(2)9-13-15(14(21)10-17)16(19-18-13)11-5-7-12(8-6-11)20(3)4/h5-8H,9-10H2,1-4H3,(H,18,19)
InChIKeyFAAQIUHKARCKNN-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.30
Rot. Bonds2

About 3-[4-(dimethylamino)phenyl]-6,6-dimethyl-5,7-dihydro-1H-indazol-4-one

3-[4-(dimethylamino)phenyl]-6,6-dimethyl-5,7-dihydro-1H-indazol-4-one (PubChem CID 3275143) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 3-[4-(dimethylamino)phenyl]-6,6-dimethyl-5,7-dihydro-1H-indazol-4-one.

Molecular Properties

Compound Name3-[4-(dimethylamino)phenyl]-6,6-dimethyl-5,7-dihydro-1H-indazol-4-one
PubChem CID3275143
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name3-[4-(dimethylamino)phenyl]-6,6-dimethyl-5,7-dihydro-1H-indazol-4-one
SMILESCN(C)c1ccc(-c2n[nH]c3c2C(=O)CC(C)(C)C3)cc1
InChIInChI=1S/C17H21N3O/c1-17(2)9-13-15(14(21)10-17)16(19-18-13)11-5-7-12(8-6-11)20(3)4/h5-8H,9-10H2,1-4H3,(H,18,19)
InChIKeyFAAQIUHKARCKNN-UHFFFAOYSA-N
XLogP3.30
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(dimethylamino)phenyl]-6,6-dimethyl-5,7-dihydro-1H-indazol-4-one?
The IUPAC name of 3-[4-(dimethylamino)phenyl]-6,6-dimethyl-5,7-dihydro-1H-indazol-4-one (CID 3275143) is 3-[4-(dimethylamino)phenyl]-6,6-dimethyl-5,7-dihydro-1H-indazol-4-one.
What is the SMILES notation for 3-[4-(dimethylamino)phenyl]-6,6-dimethyl-5,7-dihydro-1H-indazol-4-one?
The canonical SMILES for 3-[4-(dimethylamino)phenyl]-6,6-dimethyl-5,7-dihydro-1H-indazol-4-one is CN(C)c1ccc(-c2n[nH]c3c2C(=O)CC(C)(C)C3)cc1.
What is the InChIKey of 3-[4-(dimethylamino)phenyl]-6,6-dimethyl-5,7-dihydro-1H-indazol-4-one?
The InChIKey is FAAQIUHKARCKNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-17(2)9-13-15(14(21)10-17)16(19-18-13)11-5-7-12(8-6-11)20(3)4/h5-8H,9-10H2,1-4H3,(H,18,19).
What are the key properties of 3-[4-(dimethylamino)phenyl]-6,6-dimethyl-5,7-dihydro-1H-indazol-4-one?
3-[4-(dimethylamino)phenyl]-6,6-dimethyl-5,7-dihydro-1H-indazol-4-one has a molecular weight of 283.38 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(dimethylamino)phenyl]-6,6-dimethyl-5,7-dihydro-1H-indazol-4-one is sourced from PubChem (CID 3275143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).