6-(2-chlorophenyl)-3-methyl-2-(2-phenylpropyl)-6,7-dihydro-5H-indazol-4-one

C23H23ClN2O — CID 18317626

IUPAC6-(2-chlorophenyl)-3-methyl-2-(2-phenylpropyl)-6,7-dihydro-5H-indazol-4-one
SMILESCc1c2c(nn1CC(C)c1ccccc1)CC(c1ccccc1Cl)CC2=O
InChIInChI=1S/C23H23ClN2O/c1-15(17-8-4-3-5-9-17)14-26-16(2)23-21(25-26)12-18(13-22(23)27)19-10-6-7-11-20(19)24/h3-11,15,18H,12-14H2,1-2H3
InChIKeyTVYDPWFITHQWAT-UHFFFAOYSA-N
MW378.90 g/mol
LogP5.56
Rot. Bonds4

About 6-(2-chlorophenyl)-3-methyl-2-(2-phenylpropyl)-6,7-dihydro-5H-indazol-4-one

6-(2-chlorophenyl)-3-methyl-2-(2-phenylpropyl)-6,7-dihydro-5H-indazol-4-one (PubChem CID 18317626) has the molecular formula C23H23ClN2O and a molecular weight of 378.90 g/mol. Its IUPAC name is 6-(2-chlorophenyl)-3-methyl-2-(2-phenylpropyl)-6,7-dihydro-5H-indazol-4-one.

Molecular Properties

Compound Name6-(2-chlorophenyl)-3-methyl-2-(2-phenylpropyl)-6,7-dihydro-5H-indazol-4-one
PubChem CID18317626
Molecular FormulaC23H23ClN2O
Molecular Weight378.90 g/mol
Exact Mass378.15
IUPAC Name6-(2-chlorophenyl)-3-methyl-2-(2-phenylpropyl)-6,7-dihydro-5H-indazol-4-one
SMILESCc1c2c(nn1CC(C)c1ccccc1)CC(c1ccccc1Cl)CC2=O
InChIInChI=1S/C23H23ClN2O/c1-15(17-8-4-3-5-9-17)14-26-16(2)23-21(25-26)12-18(13-22(23)27)19-10-6-7-11-20(19)24/h3-11,15,18H,12-14H2,1-2H3
InChIKeyTVYDPWFITHQWAT-UHFFFAOYSA-N
XLogP5.56
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.90
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2-chlorophenyl)-3-methyl-2-(2-phenylpropyl)-6,7-dihydro-5H-indazol-4-one?
The IUPAC name of 6-(2-chlorophenyl)-3-methyl-2-(2-phenylpropyl)-6,7-dihydro-5H-indazol-4-one (CID 18317626) is 6-(2-chlorophenyl)-3-methyl-2-(2-phenylpropyl)-6,7-dihydro-5H-indazol-4-one.
What is the SMILES notation for 6-(2-chlorophenyl)-3-methyl-2-(2-phenylpropyl)-6,7-dihydro-5H-indazol-4-one?
The canonical SMILES for 6-(2-chlorophenyl)-3-methyl-2-(2-phenylpropyl)-6,7-dihydro-5H-indazol-4-one is Cc1c2c(nn1CC(C)c1ccccc1)CC(c1ccccc1Cl)CC2=O.
What is the InChIKey of 6-(2-chlorophenyl)-3-methyl-2-(2-phenylpropyl)-6,7-dihydro-5H-indazol-4-one?
The InChIKey is TVYDPWFITHQWAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O/c1-15(17-8-4-3-5-9-17)14-26-16(2)23-21(25-26)12-18(13-22(23)27)19-10-6-7-11-20(19)24/h3-11,15,18H,12-14H2,1-2H3.
What are the key properties of 6-(2-chlorophenyl)-3-methyl-2-(2-phenylpropyl)-6,7-dihydro-5H-indazol-4-one?
6-(2-chlorophenyl)-3-methyl-2-(2-phenylpropyl)-6,7-dihydro-5H-indazol-4-one has a molecular weight of 378.90 g/mol, XLogP of 5.56, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chlorophenyl)-3-methyl-2-(2-phenylpropyl)-6,7-dihydro-5H-indazol-4-one is sourced from PubChem (CID 18317626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).