N-[5-(1-ethyl-5-methoxyindol-2-yl)-1H-pyrazol-3-yl]-2-phenoxyacetamide

C22H22N4O3 — CID 50848595

IUPACN-[5-(1-ethyl-5-methoxyindol-2-yl)-1H-pyrazol-3-yl]-2-phenoxyacetamide
SMILESCCn1c(-c2cc(NC(=O)COc3ccccc3)n[nH]2)cc2cc(OC)ccc21
InChIInChI=1S/C22H22N4O3/c1-3-26-19-10-9-17(28-2)11-15(19)12-20(26)18-13-21(25-24-18)23-22(27)14-29-16-7-5-4-6-8-16/h4-13H,3,14H2,1-2H3,(H2,23,24,25,27)
InChIKeyVSRAULHWUYYCLS-UHFFFAOYSA-N
MW390.44 g/mol
LogP4.08
Rot. Bonds7

About N-[5-(1-ethyl-5-methoxyindol-2-yl)-1H-pyrazol-3-yl]-2-phenoxyacetamide

N-[5-(1-ethyl-5-methoxyindol-2-yl)-1H-pyrazol-3-yl]-2-phenoxyacetamide (PubChem CID 50848595) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is N-[5-(1-ethyl-5-methoxyindol-2-yl)-1H-pyrazol-3-yl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[5-(1-ethyl-5-methoxyindol-2-yl)-1H-pyrazol-3-yl]-2-phenoxyacetamide
PubChem CID50848595
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC NameN-[5-(1-ethyl-5-methoxyindol-2-yl)-1H-pyrazol-3-yl]-2-phenoxyacetamide
SMILESCCn1c(-c2cc(NC(=O)COc3ccccc3)n[nH]2)cc2cc(OC)ccc21
InChIInChI=1S/C22H22N4O3/c1-3-26-19-10-9-17(28-2)11-15(19)12-20(26)18-13-21(25-24-18)23-22(27)14-29-16-7-5-4-6-8-16/h4-13H,3,14H2,1-2H3,(H2,23,24,25,27)
InChIKeyVSRAULHWUYYCLS-UHFFFAOYSA-N
XLogP4.08
TPSA81.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(1-ethyl-5-methoxyindol-2-yl)-1H-pyrazol-3-yl]-2-phenoxyacetamide?
The IUPAC name of N-[5-(1-ethyl-5-methoxyindol-2-yl)-1H-pyrazol-3-yl]-2-phenoxyacetamide (CID 50848595) is N-[5-(1-ethyl-5-methoxyindol-2-yl)-1H-pyrazol-3-yl]-2-phenoxyacetamide.
What is the SMILES notation for N-[5-(1-ethyl-5-methoxyindol-2-yl)-1H-pyrazol-3-yl]-2-phenoxyacetamide?
The canonical SMILES for N-[5-(1-ethyl-5-methoxyindol-2-yl)-1H-pyrazol-3-yl]-2-phenoxyacetamide is CCn1c(-c2cc(NC(=O)COc3ccccc3)n[nH]2)cc2cc(OC)ccc21.
What is the InChIKey of N-[5-(1-ethyl-5-methoxyindol-2-yl)-1H-pyrazol-3-yl]-2-phenoxyacetamide?
The InChIKey is VSRAULHWUYYCLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-3-26-19-10-9-17(28-2)11-15(19)12-20(26)18-13-21(25-24-18)23-22(27)14-29-16-7-5-4-6-8-16/h4-13H,3,14H2,1-2H3,(H2,23,24,25,27).
What are the key properties of N-[5-(1-ethyl-5-methoxyindol-2-yl)-1H-pyrazol-3-yl]-2-phenoxyacetamide?
N-[5-(1-ethyl-5-methoxyindol-2-yl)-1H-pyrazol-3-yl]-2-phenoxyacetamide has a molecular weight of 390.44 g/mol, XLogP of 4.08, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1-ethyl-5-methoxyindol-2-yl)-1H-pyrazol-3-yl]-2-phenoxyacetamide is sourced from PubChem (CID 50848595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).