6,6-dimethyl-3-pyridin-2-yl-5,7-dihydro-1H-indazol-4-one

C14H15N3O — CID 155979817

IUPAC6,6-dimethyl-3-pyridin-2-yl-5,7-dihydro-1H-indazol-4-one
SMILESCC1(C)CC(=O)c2c(-c3ccccn3)n[nH]c2C1
InChIInChI=1S/C14H15N3O/c1-14(2)7-10-12(11(18)8-14)13(17-16-10)9-5-3-4-6-15-9/h3-6H,7-8H2,1-2H3,(H,16,17)
InChIKeyBZNFLJDSLGKGAM-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.63
Rot. Bonds1

About 6,6-dimethyl-3-pyridin-2-yl-5,7-dihydro-1H-indazol-4-one

6,6-dimethyl-3-pyridin-2-yl-5,7-dihydro-1H-indazol-4-one (PubChem CID 155979817) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 6,6-dimethyl-3-pyridin-2-yl-5,7-dihydro-1H-indazol-4-one.

Molecular Properties

Compound Name6,6-dimethyl-3-pyridin-2-yl-5,7-dihydro-1H-indazol-4-one
PubChem CID155979817
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name6,6-dimethyl-3-pyridin-2-yl-5,7-dihydro-1H-indazol-4-one
SMILESCC1(C)CC(=O)c2c(-c3ccccn3)n[nH]c2C1
InChIInChI=1S/C14H15N3O/c1-14(2)7-10-12(11(18)8-14)13(17-16-10)9-5-3-4-6-15-9/h3-6H,7-8H2,1-2H3,(H,16,17)
InChIKeyBZNFLJDSLGKGAM-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

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Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-3-pyridin-2-yl-5,7-dihydro-1H-indazol-4-one?
The IUPAC name of 6,6-dimethyl-3-pyridin-2-yl-5,7-dihydro-1H-indazol-4-one (CID 155979817) is 6,6-dimethyl-3-pyridin-2-yl-5,7-dihydro-1H-indazol-4-one.
What is the SMILES notation for 6,6-dimethyl-3-pyridin-2-yl-5,7-dihydro-1H-indazol-4-one?
The canonical SMILES for 6,6-dimethyl-3-pyridin-2-yl-5,7-dihydro-1H-indazol-4-one is CC1(C)CC(=O)c2c(-c3ccccn3)n[nH]c2C1.
What is the InChIKey of 6,6-dimethyl-3-pyridin-2-yl-5,7-dihydro-1H-indazol-4-one?
The InChIKey is BZNFLJDSLGKGAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-14(2)7-10-12(11(18)8-14)13(17-16-10)9-5-3-4-6-15-9/h3-6H,7-8H2,1-2H3,(H,16,17).
What are the key properties of 6,6-dimethyl-3-pyridin-2-yl-5,7-dihydro-1H-indazol-4-one?
6,6-dimethyl-3-pyridin-2-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-2-yl-5,7-dihydro-1H-indazol-4-one is sourced from PubChem (CID 155979817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).