(5S)-1-(cyclohexylmethyl)-5-(2-methoxyethylamino)-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide

C19H32N4O2 — CID 26228743

IUPAC(5S)-1-(cyclohexylmethyl)-5-(2-methoxyethylamino)-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCNC(=O)c1nn(CC2CCCCC2)c2c1C[C@@H](NCCOC)CC2
InChIInChI=1S/C19H32N4O2/c1-20-19(24)18-16-12-15(21-10-11-25-2)8-9-17(16)23(22-18)13-14-6-4-3-5-7-14/h14-15,21H,3-13H2,1-2H3,(H,20,24)/t15-/m0/s1
InChIKeyIUZSNXVTXFNRMU-HNNXBMFYSA-N
MW348.49 g/mol
LogP1.92
Rot. Bonds7

About (5S)-1-(cyclohexylmethyl)-5-(2-methoxyethylamino)-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide

(5S)-1-(cyclohexylmethyl)-5-(2-methoxyethylamino)-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide (PubChem CID 26228743) has the molecular formula C19H32N4O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is (5S)-1-(cyclohexylmethyl)-5-(2-methoxyethylamino)-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide.

Molecular Properties

Compound Name(5S)-1-(cyclohexylmethyl)-5-(2-methoxyethylamino)-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide
PubChem CID26228743
Molecular FormulaC19H32N4O2
Molecular Weight348.49 g/mol
Exact Mass348.25
IUPAC Name(5S)-1-(cyclohexylmethyl)-5-(2-methoxyethylamino)-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCNC(=O)c1nn(CC2CCCCC2)c2c1C[C@@H](NCCOC)CC2
InChIInChI=1S/C19H32N4O2/c1-20-19(24)18-16-12-15(21-10-11-25-2)8-9-17(16)23(22-18)13-14-6-4-3-5-7-14/h14-15,21H,3-13H2,1-2H3,(H,20,24)/t15-/m0/s1
InChIKeyIUZSNXVTXFNRMU-HNNXBMFYSA-N
XLogP1.92
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5S)-1-(cyclohexylmethyl)-5-(2-methoxyethylamino)-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide?
The IUPAC name of (5S)-1-(cyclohexylmethyl)-5-(2-methoxyethylamino)-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide (CID 26228743) is (5S)-1-(cyclohexylmethyl)-5-(2-methoxyethylamino)-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide.
What is the SMILES notation for (5S)-1-(cyclohexylmethyl)-5-(2-methoxyethylamino)-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide?
The canonical SMILES for (5S)-1-(cyclohexylmethyl)-5-(2-methoxyethylamino)-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide is CNC(=O)c1nn(CC2CCCCC2)c2c1C[C@@H](NCCOC)CC2.
What is the InChIKey of (5S)-1-(cyclohexylmethyl)-5-(2-methoxyethylamino)-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide?
The InChIKey is IUZSNXVTXFNRMU-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H32N4O2/c1-20-19(24)18-16-12-15(21-10-11-25-2)8-9-17(16)23(22-18)13-14-6-4-3-5-7-14/h14-15,21H,3-13H2,1-2H3,(H,20,24)/t15-/m0/s1.
What are the key properties of (5S)-1-(cyclohexylmethyl)-5-(2-methoxyethylamino)-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide?
(5S)-1-(cyclohexylmethyl)-5-(2-methoxyethylamino)-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide has a molecular weight of 348.49 g/mol, XLogP of 1.92, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-(cyclohexylmethyl)-5-(2-methoxyethylamino)-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide is sourced from PubChem (CID 26228743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).