2-[(4-methylphenyl)methyl]-4,5,6,7-tetrahydro-1H-indazol-3-one

C15H18N2O — CID 66023131

IUPAC2-[(4-methylphenyl)methyl]-4,5,6,7-tetrahydro-1H-indazol-3-one
SMILESCc1ccc(Cn2[nH]c3c(c2=O)CCCC3)cc1
InChIInChI=1S/C15H18N2O/c1-11-6-8-12(9-7-11)10-17-15(18)13-4-2-3-5-14(13)16-17/h6-9,16H,2-5,10H2,1H3
InChIKeySFLJOQBAWAYXON-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.41
Rot. Bonds2

About 2-[(4-methylphenyl)methyl]-4,5,6,7-tetrahydro-1H-indazol-3-one

2-[(4-methylphenyl)methyl]-4,5,6,7-tetrahydro-1H-indazol-3-one (PubChem CID 66023131) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-[(4-methylphenyl)methyl]-4,5,6,7-tetrahydro-1H-indazol-3-one.

Molecular Properties

Compound Name2-[(4-methylphenyl)methyl]-4,5,6,7-tetrahydro-1H-indazol-3-one
PubChem CID66023131
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name2-[(4-methylphenyl)methyl]-4,5,6,7-tetrahydro-1H-indazol-3-one
SMILESCc1ccc(Cn2[nH]c3c(c2=O)CCCC3)cc1
InChIInChI=1S/C15H18N2O/c1-11-6-8-12(9-7-11)10-17-15(18)13-4-2-3-5-14(13)16-17/h6-9,16H,2-5,10H2,1H3
InChIKeySFLJOQBAWAYXON-UHFFFAOYSA-N
XLogP2.41
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(4-methylphenyl)methyl]-4,5,6,7-tetrahydro-1H-indazol-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenyl)methyl]-4,5,6,7-tetrahydro-1H-indazol-3-one?
The IUPAC name of 2-[(4-methylphenyl)methyl]-4,5,6,7-tetrahydro-1H-indazol-3-one (CID 66023131) is 2-[(4-methylphenyl)methyl]-4,5,6,7-tetrahydro-1H-indazol-3-one.
What is the SMILES notation for 2-[(4-methylphenyl)methyl]-4,5,6,7-tetrahydro-1H-indazol-3-one?
The canonical SMILES for 2-[(4-methylphenyl)methyl]-4,5,6,7-tetrahydro-1H-indazol-3-one is Cc1ccc(Cn2[nH]c3c(c2=O)CCCC3)cc1.
What is the InChIKey of 2-[(4-methylphenyl)methyl]-4,5,6,7-tetrahydro-1H-indazol-3-one?
The InChIKey is SFLJOQBAWAYXON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-11-6-8-12(9-7-11)10-17-15(18)13-4-2-3-5-14(13)16-17/h6-9,16H,2-5,10H2,1H3.
What are the key properties of 2-[(4-methylphenyl)methyl]-4,5,6,7-tetrahydro-1H-indazol-3-one?
2-[(4-methylphenyl)methyl]-4,5,6,7-tetrahydro-1H-indazol-3-one has a molecular weight of 242.32 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenyl)methyl]-4,5,6,7-tetrahydro-1H-indazol-3-one is sourced from PubChem (CID 66023131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).