5-tert-butyl-1-cyclohexyl-2-methyl-N-[1-(3-methyl-1-bicyclo[3.3.1]nonanyl)ethyl]-4,5,6,7-tetrahydro-3H-indazole-3-carboxamide

C31H53N3O — CID 143116629

IUPAC5-tert-butyl-1-cyclohexyl-2-methyl-N-[1-(3-methyl-1-bicyclo[3.3.1]nonanyl)ethyl]-4,5,6,7-tetrahydro-3H-indazole-3-carboxamide
SMILESCC1CC2CCCC(C(C)NC(=O)C3C4=C(CCC(C(C)(C)C)C4)N(C4CCCCC4)N3C)(C1)C2
InChIInChI=1S/C31H53N3O/c1-21-17-23-11-10-16-31(19-21,20-23)22(2)32-29(35)28-26-18-24(30(3,4)5)14-15-27(26)34(33(28)6)25-12-8-7-9-13-25/h21-25,28H,7-20H2,1-6H3,(H,32,35)
InChIKeyZOVFXCUJQNOMTM-UHFFFAOYSA-N
MW483.79 g/mol
LogP7.06
Rot. Bonds4

About 5-tert-butyl-1-cyclohexyl-2-methyl-N-[1-(3-methyl-1-bicyclo[3.3.1]nonanyl)ethyl]-4,5,6,7-tetrahydro-3H-indazole-3-carboxamide

5-tert-butyl-1-cyclohexyl-2-methyl-N-[1-(3-methyl-1-bicyclo[3.3.1]nonanyl)ethyl]-4,5,6,7-tetrahydro-3H-indazole-3-carboxamide (PubChem CID 143116629) has the molecular formula C31H53N3O and a molecular weight of 483.79 g/mol. Its IUPAC name is 5-tert-butyl-1-cyclohexyl-2-methyl-N-[1-(3-methyl-1-bicyclo[3.3.1]nonanyl)ethyl]-4,5,6,7-tetrahydro-3H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-tert-butyl-1-cyclohexyl-2-methyl-N-[1-(3-methyl-1-bicyclo[3.3.1]nonanyl)ethyl]-4,5,6,7-tetrahydro-3H-indazole-3-carboxamide
PubChem CID143116629
Molecular FormulaC31H53N3O
Molecular Weight483.79 g/mol
Exact Mass483.42
IUPAC Name5-tert-butyl-1-cyclohexyl-2-methyl-N-[1-(3-methyl-1-bicyclo[3.3.1]nonanyl)ethyl]-4,5,6,7-tetrahydro-3H-indazole-3-carboxamide
SMILESCC1CC2CCCC(C(C)NC(=O)C3C4=C(CCC(C(C)(C)C)C4)N(C4CCCCC4)N3C)(C1)C2
InChIInChI=1S/C31H53N3O/c1-21-17-23-11-10-16-31(19-21,20-23)22(2)32-29(35)28-26-18-24(30(3,4)5)14-15-27(26)34(33(28)6)25-12-8-7-9-13-25/h21-25,28H,7-20H2,1-6H3,(H,32,35)
InChIKeyZOVFXCUJQNOMTM-UHFFFAOYSA-N
XLogP7.06
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.79
LogP ≤ 57.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-tert-butyl-1-cyclohexyl-2-methyl-N-[1-(3-methyl-1-bicyclo[3.3.1]nonanyl)ethyl]-4,5,6,7-tetrahydro-3H-indazole-3-carboxamide with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1-cyclohexyl-2-methyl-N-[1-(3-methyl-1-bicyclo[3.3.1]nonanyl)ethyl]-4,5,6,7-tetrahydro-3H-indazole-3-carboxamide?
The IUPAC name of 5-tert-butyl-1-cyclohexyl-2-methyl-N-[1-(3-methyl-1-bicyclo[3.3.1]nonanyl)ethyl]-4,5,6,7-tetrahydro-3H-indazole-3-carboxamide (CID 143116629) is 5-tert-butyl-1-cyclohexyl-2-methyl-N-[1-(3-methyl-1-bicyclo[3.3.1]nonanyl)ethyl]-4,5,6,7-tetrahydro-3H-indazole-3-carboxamide.
What is the SMILES notation for 5-tert-butyl-1-cyclohexyl-2-methyl-N-[1-(3-methyl-1-bicyclo[3.3.1]nonanyl)ethyl]-4,5,6,7-tetrahydro-3H-indazole-3-carboxamide?
The canonical SMILES for 5-tert-butyl-1-cyclohexyl-2-methyl-N-[1-(3-methyl-1-bicyclo[3.3.1]nonanyl)ethyl]-4,5,6,7-tetrahydro-3H-indazole-3-carboxamide is CC1CC2CCCC(C(C)NC(=O)C3C4=C(CCC(C(C)(C)C)C4)N(C4CCCCC4)N3C)(C1)C2.
What is the InChIKey of 5-tert-butyl-1-cyclohexyl-2-methyl-N-[1-(3-methyl-1-bicyclo[3.3.1]nonanyl)ethyl]-4,5,6,7-tetrahydro-3H-indazole-3-carboxamide?
The InChIKey is ZOVFXCUJQNOMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H53N3O/c1-21-17-23-11-10-16-31(19-21,20-23)22(2)32-29(35)28-26-18-24(30(3,4)5)14-15-27(26)34(33(28)6)25-12-8-7-9-13-25/h21-25,28H,7-20H2,1-6H3,(H,32,35).
What are the key properties of 5-tert-butyl-1-cyclohexyl-2-methyl-N-[1-(3-methyl-1-bicyclo[3.3.1]nonanyl)ethyl]-4,5,6,7-tetrahydro-3H-indazole-3-carboxamide?
5-tert-butyl-1-cyclohexyl-2-methyl-N-[1-(3-methyl-1-bicyclo[3.3.1]nonanyl)ethyl]-4,5,6,7-tetrahydro-3H-indazole-3-carboxamide has a molecular weight of 483.79 g/mol, XLogP of 7.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1-cyclohexyl-2-methyl-N-[1-(3-methyl-1-bicyclo[3.3.1]nonanyl)ethyl]-4,5,6,7-tetrahydro-3H-indazole-3-carboxamide is sourced from PubChem (CID 143116629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).