5-N-(3-chlorophenyl)-3-N-ethyl-3-N-methoxy-4,5,6,7-tetrahydro-1H-indazole-3,5-dicarboxamide

C18H21ClN4O3 — CID 138735934

IUPAC5-N-(3-chlorophenyl)-3-N-ethyl-3-N-methoxy-4,5,6,7-tetrahydro-1H-indazole-3,5-dicarboxamide
SMILESCCN(OC)C(=O)c1n[nH]c2c1CC(C(=O)Nc1cccc(Cl)c1)CC2
InChIInChI=1S/C18H21ClN4O3/c1-3-23(26-2)18(25)16-14-9-11(7-8-15(14)21-22-16)17(24)20-13-6-4-5-12(19)10-13/h4-6,10-11H,3,7-9H2,1-2H3,(H,20,24)(H,21,22)
InChIKeyKNXYZBBUGOZUDD-UHFFFAOYSA-N
MW376.84 g/mol
LogP2.83
Rot. Bonds5

About 5-N-(3-chlorophenyl)-3-N-ethyl-3-N-methoxy-4,5,6,7-tetrahydro-1H-indazole-3,5-dicarboxamide

5-N-(3-chlorophenyl)-3-N-ethyl-3-N-methoxy-4,5,6,7-tetrahydro-1H-indazole-3,5-dicarboxamide (PubChem CID 138735934) has the molecular formula C18H21ClN4O3 and a molecular weight of 376.84 g/mol. Its IUPAC name is 5-N-(3-chlorophenyl)-3-N-ethyl-3-N-methoxy-4,5,6,7-tetrahydro-1H-indazole-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-(3-chlorophenyl)-3-N-ethyl-3-N-methoxy-4,5,6,7-tetrahydro-1H-indazole-3,5-dicarboxamide
PubChem CID138735934
Molecular FormulaC18H21ClN4O3
Molecular Weight376.84 g/mol
Exact Mass376.13
IUPAC Name5-N-(3-chlorophenyl)-3-N-ethyl-3-N-methoxy-4,5,6,7-tetrahydro-1H-indazole-3,5-dicarboxamide
SMILESCCN(OC)C(=O)c1n[nH]c2c1CC(C(=O)Nc1cccc(Cl)c1)CC2
InChIInChI=1S/C18H21ClN4O3/c1-3-23(26-2)18(25)16-14-9-11(7-8-15(14)21-22-16)17(24)20-13-6-4-5-12(19)10-13/h4-6,10-11H,3,7-9H2,1-2H3,(H,20,24)(H,21,22)
InChIKeyKNXYZBBUGOZUDD-UHFFFAOYSA-N
XLogP2.83
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.84
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-N-(3-chlorophenyl)-3-N-ethyl-3-N-methoxy-4,5,6,7-tetrahydro-1H-indazole-3,5-dicarboxamide?
The IUPAC name of 5-N-(3-chlorophenyl)-3-N-ethyl-3-N-methoxy-4,5,6,7-tetrahydro-1H-indazole-3,5-dicarboxamide (CID 138735934) is 5-N-(3-chlorophenyl)-3-N-ethyl-3-N-methoxy-4,5,6,7-tetrahydro-1H-indazole-3,5-dicarboxamide.
What is the SMILES notation for 5-N-(3-chlorophenyl)-3-N-ethyl-3-N-methoxy-4,5,6,7-tetrahydro-1H-indazole-3,5-dicarboxamide?
The canonical SMILES for 5-N-(3-chlorophenyl)-3-N-ethyl-3-N-methoxy-4,5,6,7-tetrahydro-1H-indazole-3,5-dicarboxamide is CCN(OC)C(=O)c1n[nH]c2c1CC(C(=O)Nc1cccc(Cl)c1)CC2.
What is the InChIKey of 5-N-(3-chlorophenyl)-3-N-ethyl-3-N-methoxy-4,5,6,7-tetrahydro-1H-indazole-3,5-dicarboxamide?
The InChIKey is KNXYZBBUGOZUDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O3/c1-3-23(26-2)18(25)16-14-9-11(7-8-15(14)21-22-16)17(24)20-13-6-4-5-12(19)10-13/h4-6,10-11H,3,7-9H2,1-2H3,(H,20,24)(H,21,22).
What are the key properties of 5-N-(3-chlorophenyl)-3-N-ethyl-3-N-methoxy-4,5,6,7-tetrahydro-1H-indazole-3,5-dicarboxamide?
5-N-(3-chlorophenyl)-3-N-ethyl-3-N-methoxy-4,5,6,7-tetrahydro-1H-indazole-3,5-dicarboxamide has a molecular weight of 376.84 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(3-chlorophenyl)-3-N-ethyl-3-N-methoxy-4,5,6,7-tetrahydro-1H-indazole-3,5-dicarboxamide is sourced from PubChem (CID 138735934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).