3-methyl-6-(2-methylphenyl)-4,5,6,7-tetrahydro-2H-indazol-4-ol

C15H18N2O — CID 66489240

IUPAC3-methyl-6-(2-methylphenyl)-4,5,6,7-tetrahydro-2H-indazol-4-ol
SMILESCc1ccccc1C1Cc2n[nH]c(C)c2C(O)C1
InChIInChI=1S/C15H18N2O/c1-9-5-3-4-6-12(9)11-7-13-15(14(18)8-11)10(2)16-17-13/h3-6,11,14,18H,7-8H2,1-2H3,(H,16,17)
InChIKeyZIHZOICKQRXYEU-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.79
Rot. Bonds1

About 3-methyl-6-(2-methylphenyl)-4,5,6,7-tetrahydro-2H-indazol-4-ol

3-methyl-6-(2-methylphenyl)-4,5,6,7-tetrahydro-2H-indazol-4-ol (PubChem CID 66489240) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 3-methyl-6-(2-methylphenyl)-4,5,6,7-tetrahydro-2H-indazol-4-ol.

Molecular Properties

Compound Name3-methyl-6-(2-methylphenyl)-4,5,6,7-tetrahydro-2H-indazol-4-ol
PubChem CID66489240
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name3-methyl-6-(2-methylphenyl)-4,5,6,7-tetrahydro-2H-indazol-4-ol
SMILESCc1ccccc1C1Cc2n[nH]c(C)c2C(O)C1
InChIInChI=1S/C15H18N2O/c1-9-5-3-4-6-12(9)11-7-13-15(14(18)8-11)10(2)16-17-13/h3-6,11,14,18H,7-8H2,1-2H3,(H,16,17)
InChIKeyZIHZOICKQRXYEU-UHFFFAOYSA-N
XLogP2.79
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-(2-methylphenyl)-4,5,6,7-tetrahydro-2H-indazol-4-ol?
The IUPAC name of 3-methyl-6-(2-methylphenyl)-4,5,6,7-tetrahydro-2H-indazol-4-ol (CID 66489240) is 3-methyl-6-(2-methylphenyl)-4,5,6,7-tetrahydro-2H-indazol-4-ol.
What is the SMILES notation for 3-methyl-6-(2-methylphenyl)-4,5,6,7-tetrahydro-2H-indazol-4-ol?
The canonical SMILES for 3-methyl-6-(2-methylphenyl)-4,5,6,7-tetrahydro-2H-indazol-4-ol is Cc1ccccc1C1Cc2n[nH]c(C)c2C(O)C1.
What is the InChIKey of 3-methyl-6-(2-methylphenyl)-4,5,6,7-tetrahydro-2H-indazol-4-ol?
The InChIKey is ZIHZOICKQRXYEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-9-5-3-4-6-12(9)11-7-13-15(14(18)8-11)10(2)16-17-13/h3-6,11,14,18H,7-8H2,1-2H3,(H,16,17).
What are the key properties of 3-methyl-6-(2-methylphenyl)-4,5,6,7-tetrahydro-2H-indazol-4-ol?
3-methyl-6-(2-methylphenyl)-4,5,6,7-tetrahydro-2H-indazol-4-ol has a molecular weight of 242.32 g/mol, XLogP of 2.79, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-(2-methylphenyl)-4,5,6,7-tetrahydro-2H-indazol-4-ol is sourced from PubChem (CID 66489240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).