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

C14H15N3O — CID 22732861

IUPAC3,6-dimethyl-1-pyridin-2-yl-6,7-dihydro-5H-indazol-4-one
SMILESCc1nn(-c2ccccn2)c2c1C(=O)CC(C)C2
InChIInChI=1S/C14H15N3O/c1-9-7-11-14(12(18)8-9)10(2)16-17(11)13-5-3-4-6-15-13/h3-6,9H,7-8H2,1-2H3
InChIKeyZRBDFUGHLNEXNL-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.34
Rot. Bonds1

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

3,6-dimethyl-1-pyridin-2-yl-6,7-dihydro-5H-indazol-4-one (PubChem CID 22732861) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 3,6-dimethyl-1-pyridin-2-yl-6,7-dihydro-5H-indazol-4-one.

Molecular Properties

Compound Name3,6-dimethyl-1-pyridin-2-yl-6,7-dihydro-5H-indazol-4-one
PubChem CID22732861
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name3,6-dimethyl-1-pyridin-2-yl-6,7-dihydro-5H-indazol-4-one
SMILESCc1nn(-c2ccccn2)c2c1C(=O)CC(C)C2
InChIInChI=1S/C14H15N3O/c1-9-7-11-14(12(18)8-9)10(2)16-17(11)13-5-3-4-6-15-13/h3-6,9H,7-8H2,1-2H3
InChIKeyZRBDFUGHLNEXNL-UHFFFAOYSA-N
XLogP2.34
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-1-pyridin-2-yl-6,7-dihydro-5H-indazol-4-one?
The IUPAC name of 3,6-dimethyl-1-pyridin-2-yl-6,7-dihydro-5H-indazol-4-one (CID 22732861) is 3,6-dimethyl-1-pyridin-2-yl-6,7-dihydro-5H-indazol-4-one.
What is the SMILES notation for 3,6-dimethyl-1-pyridin-2-yl-6,7-dihydro-5H-indazol-4-one?
The canonical SMILES for 3,6-dimethyl-1-pyridin-2-yl-6,7-dihydro-5H-indazol-4-one is Cc1nn(-c2ccccn2)c2c1C(=O)CC(C)C2.
What is the InChIKey of 3,6-dimethyl-1-pyridin-2-yl-6,7-dihydro-5H-indazol-4-one?
The InChIKey is ZRBDFUGHLNEXNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-9-7-11-14(12(18)8-9)10(2)16-17(11)13-5-3-4-6-15-13/h3-6,9H,7-8H2,1-2H3.
What are the key properties of 3,6-dimethyl-1-pyridin-2-yl-6,7-dihydro-5H-indazol-4-one?
3,6-dimethyl-1-pyridin-2-yl-6,7-dihydro-5H-indazol-4-one has a molecular weight of 241.29 g/mol, XLogP of 2.34, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-1-pyridin-2-yl-6,7-dihydro-5H-indazol-4-one is sourced from PubChem (CID 22732861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).