3,6,6-trimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-ol

C16H20N2O — CID 4736825

IUPAC3,6,6-trimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-ol
SMILESCc1nn(-c2ccccc2)c2c1C(O)CC(C)(C)C2
InChIInChI=1S/C16H20N2O/c1-11-15-13(9-16(2,3)10-14(15)19)18(17-11)12-7-5-4-6-8-12/h4-8,14,19H,9-10H2,1-3H3
InChIKeyGZFQZWPGQSJZQQ-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.19
Rot. Bonds1

About 3,6,6-trimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-ol

3,6,6-trimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-ol (PubChem CID 4736825) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 3,6,6-trimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-ol.

Molecular Properties

Compound Name3,6,6-trimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-ol
PubChem CID4736825
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name3,6,6-trimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-ol
SMILESCc1nn(-c2ccccc2)c2c1C(O)CC(C)(C)C2
InChIInChI=1S/C16H20N2O/c1-11-15-13(9-16(2,3)10-14(15)19)18(17-11)12-7-5-4-6-8-12/h4-8,14,19H,9-10H2,1-3H3
InChIKeyGZFQZWPGQSJZQQ-UHFFFAOYSA-N
XLogP3.19
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,6,6-trimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-ol?
The IUPAC name of 3,6,6-trimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-ol (CID 4736825) is 3,6,6-trimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-ol.
What is the SMILES notation for 3,6,6-trimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-ol?
The canonical SMILES for 3,6,6-trimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-ol is Cc1nn(-c2ccccc2)c2c1C(O)CC(C)(C)C2.
What is the InChIKey of 3,6,6-trimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-ol?
The InChIKey is GZFQZWPGQSJZQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-11-15-13(9-16(2,3)10-14(15)19)18(17-11)12-7-5-4-6-8-12/h4-8,14,19H,9-10H2,1-3H3.
What are the key properties of 3,6,6-trimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-ol?
3,6,6-trimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-ol has a molecular weight of 256.35 g/mol, XLogP of 3.19, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6,6-trimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-ol is sourced from PubChem (CID 4736825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).