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

C15H18N2O — CID 807035

IUPAC(4R,6R)-3,6-dimethyl-4-phenyl-2,4,5,7-tetrahydroindazol-6-ol
SMILESCc1[nH]nc2c1[C@@H](c1ccccc1)C[C@@](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)/t12-,15-/m1/s1
InChIKeyPSEUVATTWZBEDF-IUODEOHRSA-N
MW242.32 g/mol
LogP2.55
Rot. Bonds1

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

(4R,6R)-3,6-dimethyl-4-phenyl-2,4,5,7-tetrahydroindazol-6-ol (PubChem CID 807035) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is (4R,6R)-3,6-dimethyl-4-phenyl-2,4,5,7-tetrahydroindazol-6-ol.

Molecular Properties

Compound Name(4R,6R)-3,6-dimethyl-4-phenyl-2,4,5,7-tetrahydroindazol-6-ol
PubChem CID807035
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name(4R,6R)-3,6-dimethyl-4-phenyl-2,4,5,7-tetrahydroindazol-6-ol
SMILESCc1[nH]nc2c1[C@@H](c1ccccc1)C[C@@](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)/t12-,15-/m1/s1
InChIKeyPSEUVATTWZBEDF-IUODEOHRSA-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

Analyze (4R,6R)-3,6-dimethyl-4-phenyl-2,4,5,7-tetrahydroindazol-6-ol with MolForge

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Launch Full Analysis

Related Compounds

1-[4-(3-Fluorophenyl)-6-hydroxy-3,6-dimethyl-2,4,5,7-tetrahydroindazol-5-yl]ethanone
CID 4341541
1-(6-hydroxy-3,6-dimethyl-4-phenyl-4,5,6,7-tetrahydro-2H-indazol-5-yl)ethanone
CID 3150944
1-[6-hydroxy-3,6-dimethyl-4-(4-methylphenyl)-4,5,6,7-tetrahydro-2H-indazol-5-yl]ethanone
CID 3416252
3,6-Dimethyl-4-phenyl-4,5,6,7-tetrahydro-2hindazole-6-ol
CID 3148951
1-[4-(2-fluorophenyl)-6-hydroxy-3,6-dimethyl-4,5,6,7-tetrahydro-2H-indazol-5-yl]ethanone
CID 2881931
2-(7-isopropyl-4-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl)phenol
CID 135423685
1-[4-(4-ethylphenyl)-6-hydroxy-3,6-dimethyl-4,5,6,7-tetrahydro-2H-indazol-5-yl]ethanone
CID 619619
rac-5-Acetyl-6-hydroxy-3,6-dimethyl-4-phenyl-4,5,6,7-tetrahydro-2H-indazole
CID 838672
2-methyl-1-(3-phenyl-1H-pyrazol-5-yl)propan-2-ol
CID 15561357
rac-5-Acetyl-6-hydroxy-3,6-dimethyl-4-phenyl-2H-4,5,6,7-tetrahydroindazol-1-ium chloride
CID 139079141
1-[(4R,5S,6R)-4-(3-fluorophenyl)-6-hydroxy-3,6-dimethyl-2,4,5,7-tetrahydroindazol-5-yl]ethanone
CID 1414792
1-[(4R,5R,6R)-4-(3-fluorophenyl)-6-hydroxy-3,6-dimethyl-2,4,5,7-tetrahydroindazol-5-yl]ethanone
CID 1876992

Frequently Asked Questions

What is the IUPAC name of (4R,6R)-3,6-dimethyl-4-phenyl-2,4,5,7-tetrahydroindazol-6-ol?
The IUPAC name of (4R,6R)-3,6-dimethyl-4-phenyl-2,4,5,7-tetrahydroindazol-6-ol (CID 807035) is (4R,6R)-3,6-dimethyl-4-phenyl-2,4,5,7-tetrahydroindazol-6-ol.
What is the SMILES notation for (4R,6R)-3,6-dimethyl-4-phenyl-2,4,5,7-tetrahydroindazol-6-ol?
The canonical SMILES for (4R,6R)-3,6-dimethyl-4-phenyl-2,4,5,7-tetrahydroindazol-6-ol is Cc1[nH]nc2c1[C@@H](c1ccccc1)C[C@@](C)(O)C2.
What is the InChIKey of (4R,6R)-3,6-dimethyl-4-phenyl-2,4,5,7-tetrahydroindazol-6-ol?
The InChIKey is PSEUVATTWZBEDF-IUODEOHRSA-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)/t12-,15-/m1/s1.
What are the key properties of (4R,6R)-3,6-dimethyl-4-phenyl-2,4,5,7-tetrahydroindazol-6-ol?
(4R,6R)-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 (4R,6R)-3,6-dimethyl-4-phenyl-2,4,5,7-tetrahydroindazol-6-ol is sourced from PubChem (CID 807035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).