3-[4-(dimethylamino)phenyl]-1,5,6,7-tetrahydroindazol-4-one

C15H17N3O — CID 712807

IUPAC3-[4-(dimethylamino)phenyl]-1,5,6,7-tetrahydroindazol-4-one
SMILESCN(C)c1ccc(-c2n[nH]c3c2C(=O)CCC3)cc1
InChIInChI=1S/C15H17N3O/c1-18(2)11-8-6-10(7-9-11)15-14-12(16-17-15)4-3-5-13(14)19/h6-9H,3-5H2,1-2H3,(H,16,17)
InChIKeyCMDIMHGYMDAHFP-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.66
Rot. Bonds2

About 3-[4-(dimethylamino)phenyl]-1,5,6,7-tetrahydroindazol-4-one

3-[4-(dimethylamino)phenyl]-1,5,6,7-tetrahydroindazol-4-one (PubChem CID 712807) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 3-[4-(dimethylamino)phenyl]-1,5,6,7-tetrahydroindazol-4-one.

Molecular Properties

Compound Name3-[4-(dimethylamino)phenyl]-1,5,6,7-tetrahydroindazol-4-one
PubChem CID712807
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name3-[4-(dimethylamino)phenyl]-1,5,6,7-tetrahydroindazol-4-one
SMILESCN(C)c1ccc(-c2n[nH]c3c2C(=O)CCC3)cc1
InChIInChI=1S/C15H17N3O/c1-18(2)11-8-6-10(7-9-11)15-14-12(16-17-15)4-3-5-13(14)19/h6-9H,3-5H2,1-2H3,(H,16,17)
InChIKeyCMDIMHGYMDAHFP-UHFFFAOYSA-N
XLogP2.66
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[4-(dimethylamino)phenyl]-1,5,6,7-tetrahydroindazol-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-Ethyl-3-methyl-1,5-dihydro-4H-pyrazolo[4,3-C]quinolin-4-one
CID 708346
3-benzyl-6,6-dimethyl-1,5,6,7-tetrahydro-4H-indazol-4-one
CID 705460
3,8-dimethyl-2H-pyrazolo[4,3-c]quinolin-4(5H)-one
CID 136104485
3-[(E)-2-phenylethenyl]-2,5-dihydropyrazolo[4,3-c]quinolin-4-one
CID 156009962
3-methyl-2H-pyrazolo[4,3-c]quinolin-4(5H)-one
CID 136104483
3,5-dimethyl-2H-pyrazolo[4,3-c]quinolin-4-one
CID 2785814
3-cyclohexyl-2-(4-methylphenyl)-6,7-dihydro-5H-indazol-4-one
CID 57394999
3,6-dimethyl-2H-pyrazolo[4,3-c]quinolin-4(5H)-one
CID 136104486
3-[4-(dimethylamino)phenyl]-6,6-dimethyl-2,5,6,7-tetrahydro-4H-indazol-4-one
CID 3275143
3-[4-(Dimethylamino)Phenyl]-1H-Indazole-5-Carboxamide
CID 22480095
3-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-1H-indazol-4-one
CID 4080514
US9926282, Example 109
CID 145995209

Frequently Asked Questions

What is the IUPAC name of 3-[4-(dimethylamino)phenyl]-1,5,6,7-tetrahydroindazol-4-one?
The IUPAC name of 3-[4-(dimethylamino)phenyl]-1,5,6,7-tetrahydroindazol-4-one (CID 712807) is 3-[4-(dimethylamino)phenyl]-1,5,6,7-tetrahydroindazol-4-one.
What is the SMILES notation for 3-[4-(dimethylamino)phenyl]-1,5,6,7-tetrahydroindazol-4-one?
The canonical SMILES for 3-[4-(dimethylamino)phenyl]-1,5,6,7-tetrahydroindazol-4-one is CN(C)c1ccc(-c2n[nH]c3c2C(=O)CCC3)cc1.
What is the InChIKey of 3-[4-(dimethylamino)phenyl]-1,5,6,7-tetrahydroindazol-4-one?
The InChIKey is CMDIMHGYMDAHFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-18(2)11-8-6-10(7-9-11)15-14-12(16-17-15)4-3-5-13(14)19/h6-9H,3-5H2,1-2H3,(H,16,17).
What are the key properties of 3-[4-(dimethylamino)phenyl]-1,5,6,7-tetrahydroindazol-4-one?
3-[4-(dimethylamino)phenyl]-1,5,6,7-tetrahydroindazol-4-one has a molecular weight of 255.32 g/mol, XLogP of 2.66, 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]-1,5,6,7-tetrahydroindazol-4-one is sourced from PubChem (CID 712807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).