3,4-diethoxy-N-[5-(1-ethyl-3-methylindol-2-yl)-1H-pyrazol-3-yl]benzamide

C25H28N4O3 — CID 53196058

IUPAC3,4-diethoxy-N-[5-(1-ethyl-3-methylindol-2-yl)-1H-pyrazol-3-yl]benzamide
SMILESCCOc1ccc(C(=O)Nc2cc(-c3c(C)c4ccccc4n3CC)[nH]n2)cc1OCC
InChIInChI=1S/C25H28N4O3/c1-5-29-20-11-9-8-10-18(20)16(4)24(29)19-15-23(28-27-19)26-25(30)17-12-13-21(31-6-2)22(14-17)32-7-3/h8-15H,5-7H2,1-4H3,(H2,26,27,28,30)
InChIKeyORYNLZADBNTNDP-UHFFFAOYSA-N
MW432.52 g/mol
LogP5.41
Rot. Bonds8

About 3,4-diethoxy-N-[5-(1-ethyl-3-methylindol-2-yl)-1H-pyrazol-3-yl]benzamide

3,4-diethoxy-N-[5-(1-ethyl-3-methylindol-2-yl)-1H-pyrazol-3-yl]benzamide (PubChem CID 53196058) has the molecular formula C25H28N4O3 and a molecular weight of 432.52 g/mol. Its IUPAC name is 3,4-diethoxy-N-[5-(1-ethyl-3-methylindol-2-yl)-1H-pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name3,4-diethoxy-N-[5-(1-ethyl-3-methylindol-2-yl)-1H-pyrazol-3-yl]benzamide
PubChem CID53196058
Molecular FormulaC25H28N4O3
Molecular Weight432.52 g/mol
Exact Mass432.22
IUPAC Name3,4-diethoxy-N-[5-(1-ethyl-3-methylindol-2-yl)-1H-pyrazol-3-yl]benzamide
SMILESCCOc1ccc(C(=O)Nc2cc(-c3c(C)c4ccccc4n3CC)[nH]n2)cc1OCC
InChIInChI=1S/C25H28N4O3/c1-5-29-20-11-9-8-10-18(20)16(4)24(29)19-15-23(28-27-19)26-25(30)17-12-13-21(31-6-2)22(14-17)32-7-3/h8-15H,5-7H2,1-4H3,(H2,26,27,28,30)
InChIKeyORYNLZADBNTNDP-UHFFFAOYSA-N
XLogP5.41
TPSA81.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.52
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

4-bromo-N-[5-(1-ethyl-3-methylindol-2-yl)-1H-pyrazol-3-yl]benzamide
CID 53196047
N-[5-(1-ethyl-3-methylindol-2-yl)-1H-pyrazol-3-yl]-3,5-dimethoxybenzamide
CID 53196029
N-[5-(1-ethyl-3-methylindol-2-yl)-1H-pyrazol-3-yl]-2-methylbenzamide
CID 53196042
N-[5-(1-ethyl-3-methylindol-2-yl)-1H-pyrazol-3-yl]-2-fluorobenzamide
CID 53196031
N-[5-(1-ethyl-3-methylindol-2-yl)-1H-pyrazol-3-yl]-2-thiophen-2-ylacetamide
CID 53196056
2-[2-ethoxy-4-[(1-ethylbenzimidazol-2-yl)carbamoyl]phenoxy]acetic acid
CID 119179389
3,4-diethoxy-N-pyridin-2-ylbenzamide
CID 4520194
3,4-diethoxy-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
CID 78928120
N-(benzimidazol-1-yl)-3,4-diethoxybenzamide
CID 24535717
3-amino-4-ethoxy-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 104616291
3-amino-4-ethoxy-N-(5-ethyl-1H-pyrazol-3-yl)benzamide
CID 104616103
N'-(3,4-diethoxybenzoyl)-1-ethyl-2-methylbenzimidazole-5-carbohydrazide
CID 26536321

Frequently Asked Questions

What is the IUPAC name of 3,4-diethoxy-N-[5-(1-ethyl-3-methylindol-2-yl)-1H-pyrazol-3-yl]benzamide?
The IUPAC name of 3,4-diethoxy-N-[5-(1-ethyl-3-methylindol-2-yl)-1H-pyrazol-3-yl]benzamide (CID 53196058) is 3,4-diethoxy-N-[5-(1-ethyl-3-methylindol-2-yl)-1H-pyrazol-3-yl]benzamide.
What is the SMILES notation for 3,4-diethoxy-N-[5-(1-ethyl-3-methylindol-2-yl)-1H-pyrazol-3-yl]benzamide?
The canonical SMILES for 3,4-diethoxy-N-[5-(1-ethyl-3-methylindol-2-yl)-1H-pyrazol-3-yl]benzamide is CCOc1ccc(C(=O)Nc2cc(-c3c(C)c4ccccc4n3CC)[nH]n2)cc1OCC.
What is the InChIKey of 3,4-diethoxy-N-[5-(1-ethyl-3-methylindol-2-yl)-1H-pyrazol-3-yl]benzamide?
The InChIKey is ORYNLZADBNTNDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O3/c1-5-29-20-11-9-8-10-18(20)16(4)24(29)19-15-23(28-27-19)26-25(30)17-12-13-21(31-6-2)22(14-17)32-7-3/h8-15H,5-7H2,1-4H3,(H2,26,27,28,30).
What are the key properties of 3,4-diethoxy-N-[5-(1-ethyl-3-methylindol-2-yl)-1H-pyrazol-3-yl]benzamide?
3,4-diethoxy-N-[5-(1-ethyl-3-methylindol-2-yl)-1H-pyrazol-3-yl]benzamide has a molecular weight of 432.52 g/mol, XLogP of 5.41, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethoxy-N-[5-(1-ethyl-3-methylindol-2-yl)-1H-pyrazol-3-yl]benzamide is sourced from PubChem (CID 53196058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).