5-(2-propan-2-yl-4-pyridinyl)-1,2-dihydroindazol-3-one

C15H15N3O — CID 58588608

IUPAC5-(2-propan-2-yl-4-pyridinyl)-1,2-dihydroindazol-3-one
SMILESCC(C)c1cc(-c2ccc3[nH][nH]c(=O)c3c2)ccn1
InChIInChI=1S/C15H15N3O/c1-9(2)14-8-11(5-6-16-14)10-3-4-13-12(7-10)15(19)18-17-13/h3-9H,1-2H3,(H2,17,18,19)
InChIKeyRXXAAGYQPQOMAB-UHFFFAOYSA-N
MW253.31 g/mol
LogP3.04
Rot. Bonds2

About 5-(2-propan-2-yl-4-pyridinyl)-1,2-dihydroindazol-3-one

5-(2-propan-2-yl-4-pyridinyl)-1,2-dihydroindazol-3-one (PubChem CID 58588608) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is 5-(2-propan-2-yl-4-pyridinyl)-1,2-dihydroindazol-3-one.

Molecular Properties

Compound Name5-(2-propan-2-yl-4-pyridinyl)-1,2-dihydroindazol-3-one
PubChem CID58588608
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name5-(2-propan-2-yl-4-pyridinyl)-1,2-dihydroindazol-3-one
SMILESCC(C)c1cc(-c2ccc3[nH][nH]c(=O)c3c2)ccn1
InChIInChI=1S/C15H15N3O/c1-9(2)14-8-11(5-6-16-14)10-3-4-13-12(7-10)15(19)18-17-13/h3-9H,1-2H3,(H2,17,18,19)
InChIKeyRXXAAGYQPQOMAB-UHFFFAOYSA-N
XLogP3.04
TPSA61.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2-propan-2-yl-4-pyridinyl)-1,2-dihydroindazol-3-one?
The IUPAC name of 5-(2-propan-2-yl-4-pyridinyl)-1,2-dihydroindazol-3-one (CID 58588608) is 5-(2-propan-2-yl-4-pyridinyl)-1,2-dihydroindazol-3-one.
What is the SMILES notation for 5-(2-propan-2-yl-4-pyridinyl)-1,2-dihydroindazol-3-one?
The canonical SMILES for 5-(2-propan-2-yl-4-pyridinyl)-1,2-dihydroindazol-3-one is CC(C)c1cc(-c2ccc3[nH][nH]c(=O)c3c2)ccn1.
What is the InChIKey of 5-(2-propan-2-yl-4-pyridinyl)-1,2-dihydroindazol-3-one?
The InChIKey is RXXAAGYQPQOMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-9(2)14-8-11(5-6-16-14)10-3-4-13-12(7-10)15(19)18-17-13/h3-9H,1-2H3,(H2,17,18,19).
What are the key properties of 5-(2-propan-2-yl-4-pyridinyl)-1,2-dihydroindazol-3-one?
5-(2-propan-2-yl-4-pyridinyl)-1,2-dihydroindazol-3-one has a molecular weight of 253.31 g/mol, XLogP of 3.04, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-propan-2-yl-4-pyridinyl)-1,2-dihydroindazol-3-one is sourced from PubChem (CID 58588608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).