2-ethyl-1-(4-methyl-2-pyridinyl)indazol-3-one

C15H15N3O — CID 67851365

IUPAC2-ethyl-1-(4-methyl-2-pyridinyl)indazol-3-one
SMILESCCn1c(=O)c2ccccc2n1-c1cc(C)ccn1
InChIInChI=1S/C15H15N3O/c1-3-17-15(19)12-6-4-5-7-13(12)18(17)14-10-11(2)8-9-16-14/h4-10H,3H2,1-2H3
InChIKeyFGKINQKGQKEURS-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.52
Rot. Bonds2

About 2-ethyl-1-(4-methyl-2-pyridinyl)indazol-3-one

2-ethyl-1-(4-methyl-2-pyridinyl)indazol-3-one (PubChem CID 67851365) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is 2-ethyl-1-(4-methyl-2-pyridinyl)indazol-3-one.

Molecular Properties

Compound Name2-ethyl-1-(4-methyl-2-pyridinyl)indazol-3-one
PubChem CID67851365
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name2-ethyl-1-(4-methyl-2-pyridinyl)indazol-3-one
SMILESCCn1c(=O)c2ccccc2n1-c1cc(C)ccn1
InChIInChI=1S/C15H15N3O/c1-3-17-15(19)12-6-4-5-7-13(12)18(17)14-10-11(2)8-9-16-14/h4-10H,3H2,1-2H3
InChIKeyFGKINQKGQKEURS-UHFFFAOYSA-N
XLogP2.52
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(4-methyl-2-pyridinyl)indazol-3-one?
The IUPAC name of 2-ethyl-1-(4-methyl-2-pyridinyl)indazol-3-one (CID 67851365) is 2-ethyl-1-(4-methyl-2-pyridinyl)indazol-3-one.
What is the SMILES notation for 2-ethyl-1-(4-methyl-2-pyridinyl)indazol-3-one?
The canonical SMILES for 2-ethyl-1-(4-methyl-2-pyridinyl)indazol-3-one is CCn1c(=O)c2ccccc2n1-c1cc(C)ccn1.
What is the InChIKey of 2-ethyl-1-(4-methyl-2-pyridinyl)indazol-3-one?
The InChIKey is FGKINQKGQKEURS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-3-17-15(19)12-6-4-5-7-13(12)18(17)14-10-11(2)8-9-16-14/h4-10H,3H2,1-2H3.
What are the key properties of 2-ethyl-1-(4-methyl-2-pyridinyl)indazol-3-one?
2-ethyl-1-(4-methyl-2-pyridinyl)indazol-3-one has a molecular weight of 253.31 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(4-methyl-2-pyridinyl)indazol-3-one is sourced from PubChem (CID 67851365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).