3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propanamide

C21H28N4O2 — CID 71754681

IUPAC3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propanamide
SMILESCCn1nc(C)c(CCC(=O)NCCc2c[nH]c3ccc(OC)cc23)c1C
InChIInChI=1S/C21H28N4O2/c1-5-25-15(3)18(14(2)24-25)7-9-21(26)22-11-10-16-13-23-20-8-6-17(27-4)12-19(16)20/h6,8,12-13,23H,5,7,9-11H2,1-4H3,(H,22,26)
InChIKeyVZYIRJFULSQUCS-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.30
Rot. Bonds8

About 3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propanamide

3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propanamide (PubChem CID 71754681) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propanamide
PubChem CID71754681
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC Name3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propanamide
SMILESCCn1nc(C)c(CCC(=O)NCCc2c[nH]c3ccc(OC)cc23)c1C
InChIInChI=1S/C21H28N4O2/c1-5-25-15(3)18(14(2)24-25)7-9-21(26)22-11-10-16-13-23-20-8-6-17(27-4)12-19(16)20/h6,8,12-13,23H,5,7,9-11H2,1-4H3,(H,22,26)
InChIKeyVZYIRJFULSQUCS-UHFFFAOYSA-N
XLogP3.30
TPSA71.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-3-oxopropanoate
CID 18794243
4-amino-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]butanamide
CID 26652
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-methylsulfonylpropanamide
CID 131951038
sodium 5-methoxy-3-[2-(3-sulfonatosulfanylpropanoylamino)ethyl]-1H-indole
CID 23704768
3-cyclopentyl-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propanamide
CID 18947319
N-[2-(1H-indol-3-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 41359496
potassium;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide;hydroxide
CID 174776187
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-(2-oxopyrrolidin-1-yl)butanamide
CID 131889099
(2S)-2-(3,5-dimethylpyrazol-1-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propanamide
CID 96534724
2-[4-(dimethylamino)phenyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
CID 18794242
4-amino-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]butanamide;(2R,3R)-2,3-dihydroxybutanedioic acid
CID 26651
4-amino-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]butanamide;2,3-dihydroxybutanedioic acid
CID 23619193

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propanamide?
The IUPAC name of 3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propanamide (CID 71754681) is 3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propanamide.
What is the SMILES notation for 3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propanamide?
The canonical SMILES for 3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propanamide is CCn1nc(C)c(CCC(=O)NCCc2c[nH]c3ccc(OC)cc23)c1C.
What is the InChIKey of 3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propanamide?
The InChIKey is VZYIRJFULSQUCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-5-25-15(3)18(14(2)24-25)7-9-21(26)22-11-10-16-13-23-20-8-6-17(27-4)12-19(16)20/h6,8,12-13,23H,5,7,9-11H2,1-4H3,(H,22,26).
What are the key properties of 3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propanamide?
3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propanamide has a molecular weight of 368.48 g/mol, XLogP of 3.30, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propanamide is sourced from PubChem (CID 71754681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).