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

C14H15N3O — CID 712791

IUPAC6,6-dimethyl-3-pyridin-3-yl-5,7-dihydro-1H-indazol-4-one
SMILESCC1(C)CC(=O)c2c(-c3cccnc3)n[nH]c2C1
InChIInChI=1S/C14H15N3O/c1-14(2)6-10-12(11(18)7-14)13(17-16-10)9-4-3-5-15-8-9/h3-5,8H,6-7H2,1-2H3,(H,16,17)
InChIKeyNNWACTABQWBOBT-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.63
Rot. Bonds1

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

6,6-dimethyl-3-pyridin-3-yl-5,7-dihydro-1H-indazol-4-one (PubChem CID 712791) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 6,6-dimethyl-3-pyridin-3-yl-5,7-dihydro-1H-indazol-4-one.

Molecular Properties

Compound Name6,6-dimethyl-3-pyridin-3-yl-5,7-dihydro-1H-indazol-4-one
PubChem CID712791
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name6,6-dimethyl-3-pyridin-3-yl-5,7-dihydro-1H-indazol-4-one
SMILESCC1(C)CC(=O)c2c(-c3cccnc3)n[nH]c2C1
InChIInChI=1S/C14H15N3O/c1-14(2)6-10-12(11(18)7-14)13(17-16-10)9-4-3-5-15-8-9/h3-5,8H,6-7H2,1-2H3,(H,16,17)
InChIKeyNNWACTABQWBOBT-UHFFFAOYSA-N
XLogP2.63
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6,6-dimethyl-3-pyridin-3-yl-5,7-dihydro-1H-indazol-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

CID 3671
CID 3671
CID 752155
CID 752155
CID 3237304
CID 3237304
CID 3241417
CID 3241417
CID 5309500
CID 5309500
CID 44577698
CID 44577698
CID 153978638
CID 153978638
CID 146826
CID 146826
CID 9550955
CID 9550955
CID 22978146
CID 22978146
CID 22978196
CID 22978196
CID 118606829
CID 118606829

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-3-pyridin-3-yl-5,7-dihydro-1H-indazol-4-one?
The IUPAC name of 6,6-dimethyl-3-pyridin-3-yl-5,7-dihydro-1H-indazol-4-one (CID 712791) is 6,6-dimethyl-3-pyridin-3-yl-5,7-dihydro-1H-indazol-4-one.
What is the SMILES notation for 6,6-dimethyl-3-pyridin-3-yl-5,7-dihydro-1H-indazol-4-one?
The canonical SMILES for 6,6-dimethyl-3-pyridin-3-yl-5,7-dihydro-1H-indazol-4-one is CC1(C)CC(=O)c2c(-c3cccnc3)n[nH]c2C1.
What is the InChIKey of 6,6-dimethyl-3-pyridin-3-yl-5,7-dihydro-1H-indazol-4-one?
The InChIKey is NNWACTABQWBOBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-14(2)6-10-12(11(18)7-14)13(17-16-10)9-4-3-5-15-8-9/h3-5,8H,6-7H2,1-2H3,(H,16,17).
What are the key properties of 6,6-dimethyl-3-pyridin-3-yl-5,7-dihydro-1H-indazol-4-one?
6,6-dimethyl-3-pyridin-3-yl-5,7-dihydro-1H-indazol-4-one has a molecular weight of 241.29 g/mol, XLogP of 2.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-3-pyridin-3-yl-5,7-dihydro-1H-indazol-4-one is sourced from PubChem (CID 712791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).