N-[5-(1-ethyl-3-methylindol-2-yl)-1H-pyrazol-3-yl]-2-thiophen-2-ylacetamide

C20H20N4OS — CID 53196056

IUPACN-[5-(1-ethyl-3-methylindol-2-yl)-1H-pyrazol-3-yl]-2-thiophen-2-ylacetamide
SMILESCCn1c(-c2cc(NC(=O)Cc3cccs3)n[nH]2)c(C)c2ccccc21
InChIInChI=1S/C20H20N4OS/c1-3-24-17-9-5-4-8-15(17)13(2)20(24)16-12-18(23-22-16)21-19(25)11-14-7-6-10-26-14/h4-10,12H,3,11H2,1-2H3,(H2,21,22,23,25)
InChIKeyPLUHJLDJYCGEOG-UHFFFAOYSA-N
MW364.47 g/mol
LogP4.60
Rot. Bonds5

About N-[5-(1-ethyl-3-methylindol-2-yl)-1H-pyrazol-3-yl]-2-thiophen-2-ylacetamide

N-[5-(1-ethyl-3-methylindol-2-yl)-1H-pyrazol-3-yl]-2-thiophen-2-ylacetamide (PubChem CID 53196056) has the molecular formula C20H20N4OS and a molecular weight of 364.47 g/mol. Its IUPAC name is N-[5-(1-ethyl-3-methylindol-2-yl)-1H-pyrazol-3-yl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[5-(1-ethyl-3-methylindol-2-yl)-1H-pyrazol-3-yl]-2-thiophen-2-ylacetamide
PubChem CID53196056
Molecular FormulaC20H20N4OS
Molecular Weight364.47 g/mol
Exact Mass364.14
IUPAC NameN-[5-(1-ethyl-3-methylindol-2-yl)-1H-pyrazol-3-yl]-2-thiophen-2-ylacetamide
SMILESCCn1c(-c2cc(NC(=O)Cc3cccs3)n[nH]2)c(C)c2ccccc21
InChIInChI=1S/C20H20N4OS/c1-3-24-17-9-5-4-8-15(17)13(2)20(24)16-12-18(23-22-16)21-19(25)11-14-7-6-10-26-14/h4-10,12H,3,11H2,1-2H3,(H2,21,22,23,25)
InChIKeyPLUHJLDJYCGEOG-UHFFFAOYSA-N
XLogP4.60
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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
4-bromo-N-[5-(1-ethyl-3-methylindol-2-yl)-1H-pyrazol-3-yl]benzamide
CID 53196047
3,4-diethoxy-N-[5-(1-ethyl-3-methylindol-2-yl)-1H-pyrazol-3-yl]benzamide
CID 53196058
N-(5-ethyl-1H-pyrazol-3-yl)-2-thiophen-2-ylacetamide
CID 104619581
N-(5-tert-butyl-1H-pyrazol-3-yl)-2-thiophen-2-ylacetamide
CID 104619985
2-[2,4-dioxo-3-(2-thiophen-2-ylethyl)quinazolin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 46925615
N-[(1R)-1-(1-ethylbenzimidazol-2-yl)ethyl]-2-thiophen-2-ylacetamide
CID 95234003
N-(3-ethyl-2H-indazol-5-yl)-2-thiophen-2-ylacetamide
CID 123966768
N-[5-(1-ethyl-4-methoxyindol-2-yl)-1H-pyrazol-3-yl]acetamide
CID 53196135
N-(9-ethylcarbazol-3-yl)-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)acetamide
CID 35508235
N-[6-(methylamino)-3-pyridinyl]-2-thiophen-2-ylacetamide
CID 115268484

Frequently Asked Questions

What is the IUPAC name of N-[5-(1-ethyl-3-methylindol-2-yl)-1H-pyrazol-3-yl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[5-(1-ethyl-3-methylindol-2-yl)-1H-pyrazol-3-yl]-2-thiophen-2-ylacetamide (CID 53196056) is N-[5-(1-ethyl-3-methylindol-2-yl)-1H-pyrazol-3-yl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[5-(1-ethyl-3-methylindol-2-yl)-1H-pyrazol-3-yl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[5-(1-ethyl-3-methylindol-2-yl)-1H-pyrazol-3-yl]-2-thiophen-2-ylacetamide is CCn1c(-c2cc(NC(=O)Cc3cccs3)n[nH]2)c(C)c2ccccc21.
What is the InChIKey of N-[5-(1-ethyl-3-methylindol-2-yl)-1H-pyrazol-3-yl]-2-thiophen-2-ylacetamide?
The InChIKey is PLUHJLDJYCGEOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4OS/c1-3-24-17-9-5-4-8-15(17)13(2)20(24)16-12-18(23-22-16)21-19(25)11-14-7-6-10-26-14/h4-10,12H,3,11H2,1-2H3,(H2,21,22,23,25).
What are the key properties of N-[5-(1-ethyl-3-methylindol-2-yl)-1H-pyrazol-3-yl]-2-thiophen-2-ylacetamide?
N-[5-(1-ethyl-3-methylindol-2-yl)-1H-pyrazol-3-yl]-2-thiophen-2-ylacetamide has a molecular weight of 364.47 g/mol, XLogP of 4.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1-ethyl-3-methylindol-2-yl)-1H-pyrazol-3-yl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 53196056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).