2-(1H-indol-3-yl)-N-[2-(1-phenylpyrazol-3-yl)ethyl]acetamide

C21H20N4O — CID 51105936

IUPAC2-(1H-indol-3-yl)-N-[2-(1-phenylpyrazol-3-yl)ethyl]acetamide
SMILESO=C(Cc1c[nH]c2ccccc12)NCCc1ccn(-c2ccccc2)n1
InChIInChI=1S/C21H20N4O/c26-21(14-16-15-23-20-9-5-4-8-19(16)20)22-12-10-17-11-13-25(24-17)18-6-2-1-3-7-18/h1-9,11,13,15,23H,10,12,14H2,(H,22,26)
InChIKeyYFXOMFWASYUTRT-UHFFFAOYSA-N
MW344.42 g/mol
LogP3.26
Rot. Bonds6

About 2-(1H-indol-3-yl)-N-[2-(1-phenylpyrazol-3-yl)ethyl]acetamide

2-(1H-indol-3-yl)-N-[2-(1-phenylpyrazol-3-yl)ethyl]acetamide (PubChem CID 51105936) has the molecular formula C21H20N4O and a molecular weight of 344.42 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-N-[2-(1-phenylpyrazol-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-N-[2-(1-phenylpyrazol-3-yl)ethyl]acetamide
PubChem CID51105936
Molecular FormulaC21H20N4O
Molecular Weight344.42 g/mol
Exact Mass344.16
IUPAC Name2-(1H-indol-3-yl)-N-[2-(1-phenylpyrazol-3-yl)ethyl]acetamide
SMILESO=C(Cc1c[nH]c2ccccc12)NCCc1ccn(-c2ccccc2)n1
InChIInChI=1S/C21H20N4O/c26-21(14-16-15-23-20-9-5-4-8-19(16)20)22-12-10-17-11-13-25(24-17)18-6-2-1-3-7-18/h1-9,11,13,15,23H,10,12,14H2,(H,22,26)
InChIKeyYFXOMFWASYUTRT-UHFFFAOYSA-N
XLogP3.26
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-N'-[2-(1H-indol-3-yl)acetyl]-1-phenylpyrazole-3-carbohydrazide
CID 51186249
4-[2-[[2-(1H-indol-3-yl)acetyl]amino]ethyl]benzoic acid
CID 71900120
N-[2-(4-hydroxyphenyl)ethyl]-2-(1H-indol-3-yl)acetamide
CID 7097288
N-[2-(6-chloroimidazo[1,2-a]pyridin-2-yl)ethyl]-2-(1H-indol-3-yl)acetamide
CID 110671933
N-[2-(1H-indol-3-yl)ethyl]-3-(1-phenylpyrazol-4-yl)propanamide
CID 24512620
2-(1H-indol-3-yl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]acetamide
CID 55602446
N-[2-(4-chlorophenyl)ethyl]-2-(1H-indol-3-yl)acetamide
CID 2114473
N-[2-(1H-indol-3-yl)ethyl]-2-naphthalen-1-ylacetamide
CID 20969018
2-bromo-N-[2-(1-phenylpyrazol-3-yl)ethyl]benzamide
CID 51132204
2-[2-(1H-indol-3-yl)ethylamino]-N-(2-phenylethyl)acetamide
CID 108999978
hydroxylamine;6-[[2-(1H-indol-3-yl)acetyl]amino]hexanoic acid
CID 70007907
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 10664257

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-N-[2-(1-phenylpyrazol-3-yl)ethyl]acetamide?
The IUPAC name of 2-(1H-indol-3-yl)-N-[2-(1-phenylpyrazol-3-yl)ethyl]acetamide (CID 51105936) is 2-(1H-indol-3-yl)-N-[2-(1-phenylpyrazol-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-(1H-indol-3-yl)-N-[2-(1-phenylpyrazol-3-yl)ethyl]acetamide?
The canonical SMILES for 2-(1H-indol-3-yl)-N-[2-(1-phenylpyrazol-3-yl)ethyl]acetamide is O=C(Cc1c[nH]c2ccccc12)NCCc1ccn(-c2ccccc2)n1.
What is the InChIKey of 2-(1H-indol-3-yl)-N-[2-(1-phenylpyrazol-3-yl)ethyl]acetamide?
The InChIKey is YFXOMFWASYUTRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O/c26-21(14-16-15-23-20-9-5-4-8-19(16)20)22-12-10-17-11-13-25(24-17)18-6-2-1-3-7-18/h1-9,11,13,15,23H,10,12,14H2,(H,22,26).
What are the key properties of 2-(1H-indol-3-yl)-N-[2-(1-phenylpyrazol-3-yl)ethyl]acetamide?
2-(1H-indol-3-yl)-N-[2-(1-phenylpyrazol-3-yl)ethyl]acetamide has a molecular weight of 344.42 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-N-[2-(1-phenylpyrazol-3-yl)ethyl]acetamide is sourced from PubChem (CID 51105936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).