5-methyl-2-(4-methylphenyl)-1H-indazol-3-one

C15H14N2O — CID 617153

IUPAC5-methyl-2-(4-methylphenyl)-1H-indazol-3-one
SMILESCc1ccc(-n2[nH]c3ccc(C)cc3c2=O)cc1
InChIInChI=1S/C15H14N2O/c1-10-3-6-12(7-4-10)17-15(18)13-9-11(2)5-8-14(13)16-17/h3-9,16H,1-2H3
InChIKeyCDGCHPSQYGKSSW-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.94
Rot. Bonds1

About 5-methyl-2-(4-methylphenyl)-1H-indazol-3-one

5-methyl-2-(4-methylphenyl)-1H-indazol-3-one (PubChem CID 617153) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is 5-methyl-2-(4-methylphenyl)-1H-indazol-3-one.

Molecular Properties

Compound Name5-methyl-2-(4-methylphenyl)-1H-indazol-3-one
PubChem CID617153
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC Name5-methyl-2-(4-methylphenyl)-1H-indazol-3-one
SMILESCc1ccc(-n2[nH]c3ccc(C)cc3c2=O)cc1
InChIInChI=1S/C15H14N2O/c1-10-3-6-12(7-4-10)17-15(18)13-9-11(2)5-8-14(13)16-17/h3-9,16H,1-2H3
InChIKeyCDGCHPSQYGKSSW-UHFFFAOYSA-N
XLogP2.94
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_65_B(7)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(4-methylphenyl)-1H-indazol-3-one?
The IUPAC name of 5-methyl-2-(4-methylphenyl)-1H-indazol-3-one (CID 617153) is 5-methyl-2-(4-methylphenyl)-1H-indazol-3-one.
What is the SMILES notation for 5-methyl-2-(4-methylphenyl)-1H-indazol-3-one?
The canonical SMILES for 5-methyl-2-(4-methylphenyl)-1H-indazol-3-one is Cc1ccc(-n2[nH]c3ccc(C)cc3c2=O)cc1.
What is the InChIKey of 5-methyl-2-(4-methylphenyl)-1H-indazol-3-one?
The InChIKey is CDGCHPSQYGKSSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O/c1-10-3-6-12(7-4-10)17-15(18)13-9-11(2)5-8-14(13)16-17/h3-9,16H,1-2H3.
What are the key properties of 5-methyl-2-(4-methylphenyl)-1H-indazol-3-one?
5-methyl-2-(4-methylphenyl)-1H-indazol-3-one has a molecular weight of 238.29 g/mol, XLogP of 2.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(4-methylphenyl)-1H-indazol-3-one is sourced from PubChem (CID 617153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).