3,6-dimethyl-4-phenyl-2,4,5,7-tetrahydroindazol-6-ol

C15H18N2O — CID 3148951

IUPAC3,6-dimethyl-4-phenyl-2,4,5,7-tetrahydroindazol-6-ol
SMILESCc1[nH]nc2c1C(c1ccccc1)CC(C)(O)C2
InChIInChI=1S/C15H18N2O/c1-10-14-12(11-6-4-3-5-7-11)8-15(2,18)9-13(14)17-16-10/h3-7,12,18H,8-9H2,1-2H3,(H,16,17)
InChIKeyPSEUVATTWZBEDF-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.55
Rot. Bonds1

About 3,6-dimethyl-4-phenyl-2,4,5,7-tetrahydroindazol-6-ol

3,6-dimethyl-4-phenyl-2,4,5,7-tetrahydroindazol-6-ol (PubChem CID 3148951) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 3,6-dimethyl-4-phenyl-2,4,5,7-tetrahydroindazol-6-ol.

Molecular Properties

Compound Name3,6-dimethyl-4-phenyl-2,4,5,7-tetrahydroindazol-6-ol
PubChem CID3148951
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name3,6-dimethyl-4-phenyl-2,4,5,7-tetrahydroindazol-6-ol
SMILESCc1[nH]nc2c1C(c1ccccc1)CC(C)(O)C2
InChIInChI=1S/C15H18N2O/c1-10-14-12(11-6-4-3-5-7-11)8-15(2,18)9-13(14)17-16-10/h3-7,12,18H,8-9H2,1-2H3,(H,16,17)
InChIKeyPSEUVATTWZBEDF-UHFFFAOYSA-N
XLogP2.55
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 ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-4-phenyl-2,4,5,7-tetrahydroindazol-6-ol?
The IUPAC name of 3,6-dimethyl-4-phenyl-2,4,5,7-tetrahydroindazol-6-ol (CID 3148951) is 3,6-dimethyl-4-phenyl-2,4,5,7-tetrahydroindazol-6-ol.
What is the SMILES notation for 3,6-dimethyl-4-phenyl-2,4,5,7-tetrahydroindazol-6-ol?
The canonical SMILES for 3,6-dimethyl-4-phenyl-2,4,5,7-tetrahydroindazol-6-ol is Cc1[nH]nc2c1C(c1ccccc1)CC(C)(O)C2.
What is the InChIKey of 3,6-dimethyl-4-phenyl-2,4,5,7-tetrahydroindazol-6-ol?
The InChIKey is PSEUVATTWZBEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-10-14-12(11-6-4-3-5-7-11)8-15(2,18)9-13(14)17-16-10/h3-7,12,18H,8-9H2,1-2H3,(H,16,17).
What are the key properties of 3,6-dimethyl-4-phenyl-2,4,5,7-tetrahydroindazol-6-ol?
3,6-dimethyl-4-phenyl-2,4,5,7-tetrahydroindazol-6-ol has a molecular weight of 242.32 g/mol, XLogP of 2.55, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-4-phenyl-2,4,5,7-tetrahydroindazol-6-ol is sourced from PubChem (CID 3148951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).