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

C17H22N2O — CID 66489238

IUPAC3-methyl-6-(4-propan-2-ylphenyl)-4,5,6,7-tetrahydro-2H-indazol-4-ol
SMILESCc1[nH]nc2c1C(O)CC(c1ccc(C(C)C)cc1)C2
InChIInChI=1S/C17H22N2O/c1-10(2)12-4-6-13(7-5-12)14-8-15-17(16(20)9-14)11(3)18-19-15/h4-7,10,14,16,20H,8-9H2,1-3H3,(H,18,19)
InChIKeyURGIKBWPMHYLKC-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.60
Rot. Bonds2

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

3-methyl-6-(4-propan-2-ylphenyl)-4,5,6,7-tetrahydro-2H-indazol-4-ol (PubChem CID 66489238) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 3-methyl-6-(4-propan-2-ylphenyl)-4,5,6,7-tetrahydro-2H-indazol-4-ol.

Molecular Properties

Compound Name3-methyl-6-(4-propan-2-ylphenyl)-4,5,6,7-tetrahydro-2H-indazol-4-ol
PubChem CID66489238
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name3-methyl-6-(4-propan-2-ylphenyl)-4,5,6,7-tetrahydro-2H-indazol-4-ol
SMILESCc1[nH]nc2c1C(O)CC(c1ccc(C(C)C)cc1)C2
InChIInChI=1S/C17H22N2O/c1-10(2)12-4-6-13(7-5-12)14-8-15-17(16(20)9-14)11(3)18-19-15/h4-7,10,14,16,20H,8-9H2,1-3H3,(H,18,19)
InChIKeyURGIKBWPMHYLKC-UHFFFAOYSA-N
XLogP3.60
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-(4-propan-2-ylphenyl)-4,5,6,7-tetrahydro-2H-indazol-4-ol?
The IUPAC name of 3-methyl-6-(4-propan-2-ylphenyl)-4,5,6,7-tetrahydro-2H-indazol-4-ol (CID 66489238) is 3-methyl-6-(4-propan-2-ylphenyl)-4,5,6,7-tetrahydro-2H-indazol-4-ol.
What is the SMILES notation for 3-methyl-6-(4-propan-2-ylphenyl)-4,5,6,7-tetrahydro-2H-indazol-4-ol?
The canonical SMILES for 3-methyl-6-(4-propan-2-ylphenyl)-4,5,6,7-tetrahydro-2H-indazol-4-ol is Cc1[nH]nc2c1C(O)CC(c1ccc(C(C)C)cc1)C2.
What is the InChIKey of 3-methyl-6-(4-propan-2-ylphenyl)-4,5,6,7-tetrahydro-2H-indazol-4-ol?
The InChIKey is URGIKBWPMHYLKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-10(2)12-4-6-13(7-5-12)14-8-15-17(16(20)9-14)11(3)18-19-15/h4-7,10,14,16,20H,8-9H2,1-3H3,(H,18,19).
What are the key properties of 3-methyl-6-(4-propan-2-ylphenyl)-4,5,6,7-tetrahydro-2H-indazol-4-ol?
3-methyl-6-(4-propan-2-ylphenyl)-4,5,6,7-tetrahydro-2H-indazol-4-ol has a molecular weight of 270.38 g/mol, XLogP of 3.60, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-(4-propan-2-ylphenyl)-4,5,6,7-tetrahydro-2H-indazol-4-ol is sourced from PubChem (CID 66489238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).