3-ethoxy-2-ethyl-N-(4-phenylbutyl)indazole-6-carboxamide

C22H27N3O2 — CID 11958699

IUPAC3-ethoxy-2-ethyl-N-(4-phenylbutyl)indazole-6-carboxamide
SMILESCCOc1c2ccc(C(=O)NCCCCc3ccccc3)cc2nn1CC
InChIInChI=1S/C22H27N3O2/c1-3-25-22(27-4-2)19-14-13-18(16-20(19)24-25)21(26)23-15-9-8-12-17-10-6-5-7-11-17/h5-7,10-11,13-14,16H,3-4,8-9,12,15H2,1-2H3,(H,23,26)
InChIKeyYBLXIFUJHMLOES-UHFFFAOYSA-N
MW365.48 g/mol
LogP4.21
Rot. Bonds9

About 3-ethoxy-2-ethyl-N-(4-phenylbutyl)indazole-6-carboxamide

3-ethoxy-2-ethyl-N-(4-phenylbutyl)indazole-6-carboxamide (PubChem CID 11958699) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 3-ethoxy-2-ethyl-N-(4-phenylbutyl)indazole-6-carboxamide.

Molecular Properties

Compound Name3-ethoxy-2-ethyl-N-(4-phenylbutyl)indazole-6-carboxamide
PubChem CID11958699
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name3-ethoxy-2-ethyl-N-(4-phenylbutyl)indazole-6-carboxamide
SMILESCCOc1c2ccc(C(=O)NCCCCc3ccccc3)cc2nn1CC
InChIInChI=1S/C22H27N3O2/c1-3-25-22(27-4-2)19-14-13-18(16-20(19)24-25)21(26)23-15-9-8-12-17-10-6-5-7-11-17/h5-7,10-11,13-14,16H,3-4,8-9,12,15H2,1-2H3,(H,23,26)
InChIKeyYBLXIFUJHMLOES-UHFFFAOYSA-N
XLogP4.21
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 54.21
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-ethoxy-2-ethyl-N-(4-phenylbutyl)indazole-6-carboxamide?
The IUPAC name of 3-ethoxy-2-ethyl-N-(4-phenylbutyl)indazole-6-carboxamide (CID 11958699) is 3-ethoxy-2-ethyl-N-(4-phenylbutyl)indazole-6-carboxamide.
What is the SMILES notation for 3-ethoxy-2-ethyl-N-(4-phenylbutyl)indazole-6-carboxamide?
The canonical SMILES for 3-ethoxy-2-ethyl-N-(4-phenylbutyl)indazole-6-carboxamide is CCOc1c2ccc(C(=O)NCCCCc3ccccc3)cc2nn1CC.
What is the InChIKey of 3-ethoxy-2-ethyl-N-(4-phenylbutyl)indazole-6-carboxamide?
The InChIKey is YBLXIFUJHMLOES-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-3-25-22(27-4-2)19-14-13-18(16-20(19)24-25)21(26)23-15-9-8-12-17-10-6-5-7-11-17/h5-7,10-11,13-14,16H,3-4,8-9,12,15H2,1-2H3,(H,23,26).
What are the key properties of 3-ethoxy-2-ethyl-N-(4-phenylbutyl)indazole-6-carboxamide?
3-ethoxy-2-ethyl-N-(4-phenylbutyl)indazole-6-carboxamide has a molecular weight of 365.48 g/mol, XLogP of 4.21, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2-ethyl-N-(4-phenylbutyl)indazole-6-carboxamide is sourced from PubChem (CID 11958699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).