3-cyclohexyl-2-(4-methylphenyl)-6,7-dihydro-5H-indazol-4-one

C20H24N2O — CID 57394999

IUPAC3-cyclohexyl-2-(4-methylphenyl)-6,7-dihydro-5H-indazol-4-one
SMILESCc1ccc(-n2nc3c(c2C2CCCCC2)C(=O)CCC3)cc1
InChIInChI=1S/C20H24N2O/c1-14-10-12-16(13-11-14)22-20(15-6-3-2-4-7-15)19-17(21-22)8-5-9-18(19)23/h10-13,15H,2-9H2,1H3
InChIKeyXEWNLQLVRWVARV-UHFFFAOYSA-N
MW308.43 g/mol
LogP4.75
Rot. Bonds2

About 3-cyclohexyl-2-(4-methylphenyl)-6,7-dihydro-5H-indazol-4-one

3-cyclohexyl-2-(4-methylphenyl)-6,7-dihydro-5H-indazol-4-one (PubChem CID 57394999) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is 3-cyclohexyl-2-(4-methylphenyl)-6,7-dihydro-5H-indazol-4-one.

Molecular Properties

Compound Name3-cyclohexyl-2-(4-methylphenyl)-6,7-dihydro-5H-indazol-4-one
PubChem CID57394999
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name3-cyclohexyl-2-(4-methylphenyl)-6,7-dihydro-5H-indazol-4-one
SMILESCc1ccc(-n2nc3c(c2C2CCCCC2)C(=O)CCC3)cc1
InChIInChI=1S/C20H24N2O/c1-14-10-12-16(13-11-14)22-20(15-6-3-2-4-7-15)19-17(21-22)8-5-9-18(19)23/h10-13,15H,2-9H2,1H3
InChIKeyXEWNLQLVRWVARV-UHFFFAOYSA-N
XLogP4.75
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-2-(4-methylphenyl)-6,7-dihydro-5H-indazol-4-one?
The IUPAC name of 3-cyclohexyl-2-(4-methylphenyl)-6,7-dihydro-5H-indazol-4-one (CID 57394999) is 3-cyclohexyl-2-(4-methylphenyl)-6,7-dihydro-5H-indazol-4-one.
What is the SMILES notation for 3-cyclohexyl-2-(4-methylphenyl)-6,7-dihydro-5H-indazol-4-one?
The canonical SMILES for 3-cyclohexyl-2-(4-methylphenyl)-6,7-dihydro-5H-indazol-4-one is Cc1ccc(-n2nc3c(c2C2CCCCC2)C(=O)CCC3)cc1.
What is the InChIKey of 3-cyclohexyl-2-(4-methylphenyl)-6,7-dihydro-5H-indazol-4-one?
The InChIKey is XEWNLQLVRWVARV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c1-14-10-12-16(13-11-14)22-20(15-6-3-2-4-7-15)19-17(21-22)8-5-9-18(19)23/h10-13,15H,2-9H2,1H3.
What are the key properties of 3-cyclohexyl-2-(4-methylphenyl)-6,7-dihydro-5H-indazol-4-one?
3-cyclohexyl-2-(4-methylphenyl)-6,7-dihydro-5H-indazol-4-one has a molecular weight of 308.43 g/mol, XLogP of 4.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-2-(4-methylphenyl)-6,7-dihydro-5H-indazol-4-one is sourced from PubChem (CID 57394999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).