3-methoxy-2-methyl-N-(4-phenylbutyl)indazole-6-carboxamide

C20H23N3O2 — CID 11958682

IUPAC3-methoxy-2-methyl-N-(4-phenylbutyl)indazole-6-carboxamide
SMILESCOc1c2ccc(C(=O)NCCCCc3ccccc3)cc2nn1C
InChIInChI=1S/C20H23N3O2/c1-23-20(25-2)17-12-11-16(14-18(17)22-23)19(24)21-13-7-6-10-15-8-4-3-5-9-15/h3-5,8-9,11-12,14H,6-7,10,13H2,1-2H3,(H,21,24)
InChIKeyRYOWJSBMGFZTCN-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.33
Rot. Bonds7

About 3-methoxy-2-methyl-N-(4-phenylbutyl)indazole-6-carboxamide

3-methoxy-2-methyl-N-(4-phenylbutyl)indazole-6-carboxamide (PubChem CID 11958682) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 3-methoxy-2-methyl-N-(4-phenylbutyl)indazole-6-carboxamide.

Molecular Properties

Compound Name3-methoxy-2-methyl-N-(4-phenylbutyl)indazole-6-carboxamide
PubChem CID11958682
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name3-methoxy-2-methyl-N-(4-phenylbutyl)indazole-6-carboxamide
SMILESCOc1c2ccc(C(=O)NCCCCc3ccccc3)cc2nn1C
InChIInChI=1S/C20H23N3O2/c1-23-20(25-2)17-12-11-16(14-18(17)22-23)19(24)21-13-7-6-10-15-8-4-3-5-9-15/h3-5,8-9,11-12,14H,6-7,10,13H2,1-2H3,(H,21,24)
InChIKeyRYOWJSBMGFZTCN-UHFFFAOYSA-N
XLogP3.33
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 3-methoxy-2-methyl-N-(4-phenylbutyl)indazole-6-carboxamide?
The IUPAC name of 3-methoxy-2-methyl-N-(4-phenylbutyl)indazole-6-carboxamide (CID 11958682) is 3-methoxy-2-methyl-N-(4-phenylbutyl)indazole-6-carboxamide.
What is the SMILES notation for 3-methoxy-2-methyl-N-(4-phenylbutyl)indazole-6-carboxamide?
The canonical SMILES for 3-methoxy-2-methyl-N-(4-phenylbutyl)indazole-6-carboxamide is COc1c2ccc(C(=O)NCCCCc3ccccc3)cc2nn1C.
What is the InChIKey of 3-methoxy-2-methyl-N-(4-phenylbutyl)indazole-6-carboxamide?
The InChIKey is RYOWJSBMGFZTCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-23-20(25-2)17-12-11-16(14-18(17)22-23)19(24)21-13-7-6-10-15-8-4-3-5-9-15/h3-5,8-9,11-12,14H,6-7,10,13H2,1-2H3,(H,21,24).
What are the key properties of 3-methoxy-2-methyl-N-(4-phenylbutyl)indazole-6-carboxamide?
3-methoxy-2-methyl-N-(4-phenylbutyl)indazole-6-carboxamide has a molecular weight of 337.42 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-methyl-N-(4-phenylbutyl)indazole-6-carboxamide is sourced from PubChem (CID 11958682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).