N-[5-(1-ethyl-4-methoxyindol-2-yl)-1H-pyrazol-3-yl]-2-(3-methoxyphenyl)acetamide

C23H24N4O3 — CID 53196096

IUPACN-[5-(1-ethyl-4-methoxyindol-2-yl)-1H-pyrazol-3-yl]-2-(3-methoxyphenyl)acetamide
SMILESCCn1c(-c2cc(NC(=O)Cc3cccc(OC)c3)n[nH]2)cc2c(OC)cccc21
InChIInChI=1S/C23H24N4O3/c1-4-27-19-9-6-10-21(30-3)17(19)13-20(27)18-14-22(26-25-18)24-23(28)12-15-7-5-8-16(11-15)29-2/h5-11,13-14H,4,12H2,1-3H3,(H2,24,25,26,28)
InChIKeyVOPYYGAQZBSDQA-UHFFFAOYSA-N
MW404.47 g/mol
LogP4.25
Rot. Bonds7

About N-[5-(1-ethyl-4-methoxyindol-2-yl)-1H-pyrazol-3-yl]-2-(3-methoxyphenyl)acetamide

N-[5-(1-ethyl-4-methoxyindol-2-yl)-1H-pyrazol-3-yl]-2-(3-methoxyphenyl)acetamide (PubChem CID 53196096) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is N-[5-(1-ethyl-4-methoxyindol-2-yl)-1H-pyrazol-3-yl]-2-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[5-(1-ethyl-4-methoxyindol-2-yl)-1H-pyrazol-3-yl]-2-(3-methoxyphenyl)acetamide
PubChem CID53196096
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC NameN-[5-(1-ethyl-4-methoxyindol-2-yl)-1H-pyrazol-3-yl]-2-(3-methoxyphenyl)acetamide
SMILESCCn1c(-c2cc(NC(=O)Cc3cccc(OC)c3)n[nH]2)cc2c(OC)cccc21
InChIInChI=1S/C23H24N4O3/c1-4-27-19-9-6-10-21(30-3)17(19)13-20(27)18-14-22(26-25-18)24-23(28)12-15-7-5-8-16(11-15)29-2/h5-11,13-14H,4,12H2,1-3H3,(H2,24,25,26,28)
InChIKeyVOPYYGAQZBSDQA-UHFFFAOYSA-N
XLogP4.25
TPSA81.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(1-ethyl-4-methoxyindol-2-yl)-1H-pyrazol-3-yl]acetamide
CID 53196135
N-[5-(1-ethyl-6-methoxyindol-2-yl)-1H-pyrazol-3-yl]-2-(3-methoxyphenyl)acetamide
CID 53196168
N-[5-(1-ethyl-4-methoxyindol-2-yl)-1H-pyrazol-3-yl]-2-phenylmethoxyacetamide
CID 50848619
5-bromo-N-[5-(1-ethyl-4-methoxyindol-2-yl)-1H-pyrazol-3-yl]furan-2-carboxamide
CID 53196082
N-(5-ethyl-1H-pyrazol-3-yl)-2-(3-methoxyphenyl)acetamide
CID 47423285
N-[5-(1-ethylindol-2-yl)-1H-pyrazol-3-yl]-2-phenoxyacetamide
CID 53195937
N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(3-methoxyphenyl)acetamide
CID 47067672
N-[5-(1-ethyl-5-methoxyindol-2-yl)-1H-pyrazol-3-yl]-3,5-dimethoxybenzamide
CID 53195961
N-[5-(1-ethyl-5-methoxyindol-2-yl)-1H-pyrazol-3-yl]-2-phenoxypropanamide
CID 53196011
N-[5-(1-ethyl-6-methoxyindol-2-yl)-1H-pyrazol-3-yl]pyridine-4-carboxamide
CID 53196167
N-[5-(1-ethyl-3-methylindol-2-yl)-1H-pyrazol-3-yl]-3,5-dimethoxybenzamide
CID 53196029
5-bromo-N-[5-(1-ethyl-6-methoxyindol-2-yl)-1H-pyrazol-3-yl]pyridine-3-carboxamide
CID 53196151

Frequently Asked Questions

What is the IUPAC name of N-[5-(1-ethyl-4-methoxyindol-2-yl)-1H-pyrazol-3-yl]-2-(3-methoxyphenyl)acetamide?
The IUPAC name of N-[5-(1-ethyl-4-methoxyindol-2-yl)-1H-pyrazol-3-yl]-2-(3-methoxyphenyl)acetamide (CID 53196096) is N-[5-(1-ethyl-4-methoxyindol-2-yl)-1H-pyrazol-3-yl]-2-(3-methoxyphenyl)acetamide.
What is the SMILES notation for N-[5-(1-ethyl-4-methoxyindol-2-yl)-1H-pyrazol-3-yl]-2-(3-methoxyphenyl)acetamide?
The canonical SMILES for N-[5-(1-ethyl-4-methoxyindol-2-yl)-1H-pyrazol-3-yl]-2-(3-methoxyphenyl)acetamide is CCn1c(-c2cc(NC(=O)Cc3cccc(OC)c3)n[nH]2)cc2c(OC)cccc21.
What is the InChIKey of N-[5-(1-ethyl-4-methoxyindol-2-yl)-1H-pyrazol-3-yl]-2-(3-methoxyphenyl)acetamide?
The InChIKey is VOPYYGAQZBSDQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-4-27-19-9-6-10-21(30-3)17(19)13-20(27)18-14-22(26-25-18)24-23(28)12-15-7-5-8-16(11-15)29-2/h5-11,13-14H,4,12H2,1-3H3,(H2,24,25,26,28).
What are the key properties of N-[5-(1-ethyl-4-methoxyindol-2-yl)-1H-pyrazol-3-yl]-2-(3-methoxyphenyl)acetamide?
N-[5-(1-ethyl-4-methoxyindol-2-yl)-1H-pyrazol-3-yl]-2-(3-methoxyphenyl)acetamide has a molecular weight of 404.47 g/mol, XLogP of 4.25, 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-4-methoxyindol-2-yl)-1H-pyrazol-3-yl]-2-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 53196096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).