3-(5-methyl-1H-indol-3-yl)-N-[(2R)-3-methyl-2-(2-methylpyrazol-3-yl)butyl]propanamide

C21H28N4O — CID 124725974

IUPAC3-(5-methyl-1H-indol-3-yl)-N-[(2R)-3-methyl-2-(2-methylpyrazol-3-yl)butyl]propanamide
SMILESCc1ccc2[nH]cc(CCC(=O)NC[C@H](c3ccnn3C)C(C)C)c2c1
InChIInChI=1S/C21H28N4O/c1-14(2)18(20-9-10-24-25(20)4)13-23-21(26)8-6-16-12-22-19-7-5-15(3)11-17(16)19/h5,7,9-12,14,18,22H,6,8,13H2,1-4H3,(H,23,26)/t18-/m0/s1
InChIKeyBOXOWHCEDSQNFK-SFHVURJKSA-N
MW352.48 g/mol
LogP3.70
Rot. Bonds7

About 3-(5-methyl-1H-indol-3-yl)-N-[(2R)-3-methyl-2-(2-methylpyrazol-3-yl)butyl]propanamide

3-(5-methyl-1H-indol-3-yl)-N-[(2R)-3-methyl-2-(2-methylpyrazol-3-yl)butyl]propanamide (PubChem CID 124725974) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is 3-(5-methyl-1H-indol-3-yl)-N-[(2R)-3-methyl-2-(2-methylpyrazol-3-yl)butyl]propanamide.

Molecular Properties

Compound Name3-(5-methyl-1H-indol-3-yl)-N-[(2R)-3-methyl-2-(2-methylpyrazol-3-yl)butyl]propanamide
PubChem CID124725974
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC Name3-(5-methyl-1H-indol-3-yl)-N-[(2R)-3-methyl-2-(2-methylpyrazol-3-yl)butyl]propanamide
SMILESCc1ccc2[nH]cc(CCC(=O)NC[C@H](c3ccnn3C)C(C)C)c2c1
InChIInChI=1S/C21H28N4O/c1-14(2)18(20-9-10-24-25(20)4)13-23-21(26)8-6-16-12-22-19-7-5-15(3)11-17(16)19/h5,7,9-12,14,18,22H,6,8,13H2,1-4H3,(H,23,26)/t18-/m0/s1
InChIKeyBOXOWHCEDSQNFK-SFHVURJKSA-N
XLogP3.70
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(5-methyl-1H-indol-3-yl)-N-[(2R)-3-methyl-2-(2-methylpyrazol-3-yl)butyl]propanamide with MolForge

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Related Compounds

3-(5-methyl-1H-indol-3-yl)-N-(4-methylsulfanylbutyl)propanamide
CID 71925432
3-(5-methyl-1H-indol-3-yl)-N-[(2S)-pent-4-en-2-yl]propanamide
CID 95930494
methyl 2-methyl-5-[[3-(5-methyl-1H-indol-3-yl)propanoylamino]methyl]furan-3-carboxylate
CID 119042143
N-[1-(1-cyclopropylethyl)pyrazol-4-yl]-3-(5-methyl-1H-indol-3-yl)propanamide
CID 126779213
2-chloro-N-[2-(5-methyl-1H-indol-3-yl)ethyl]acetamide
CID 17339304
N-(4-hydroxycyclohexyl)-3-(5-methyl-1H-indol-3-yl)propanamide
CID 111536296
N-[(3-hydroxythiolan-3-yl)methyl]-3-(5-methyl-1H-indol-3-yl)propanamide
CID 111596973
2-[[2-(5-methyl-1H-indol-3-yl)acetyl]amino]acetic acid
CID 110835976
N-[2-(5-methyl-1H-indol-3-yl)ethyl]-3-phenylsulfanylpropanamide
CID 17272014
2-methoxy-N-[2-(5-methyl-1H-indol-3-yl)ethyl]acetamide
CID 17271899
N-[2-(5-methyl-1H-indol-3-yl)ethyl]-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide
CID 50781098
2-[[3-(1H-indol-3-yl)propanoylamino]methyl]-3-(3-methylphenyl)propanoic acid
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Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-1H-indol-3-yl)-N-[(2R)-3-methyl-2-(2-methylpyrazol-3-yl)butyl]propanamide?
The IUPAC name of 3-(5-methyl-1H-indol-3-yl)-N-[(2R)-3-methyl-2-(2-methylpyrazol-3-yl)butyl]propanamide (CID 124725974) is 3-(5-methyl-1H-indol-3-yl)-N-[(2R)-3-methyl-2-(2-methylpyrazol-3-yl)butyl]propanamide.
What is the SMILES notation for 3-(5-methyl-1H-indol-3-yl)-N-[(2R)-3-methyl-2-(2-methylpyrazol-3-yl)butyl]propanamide?
The canonical SMILES for 3-(5-methyl-1H-indol-3-yl)-N-[(2R)-3-methyl-2-(2-methylpyrazol-3-yl)butyl]propanamide is Cc1ccc2[nH]cc(CCC(=O)NC[C@H](c3ccnn3C)C(C)C)c2c1.
What is the InChIKey of 3-(5-methyl-1H-indol-3-yl)-N-[(2R)-3-methyl-2-(2-methylpyrazol-3-yl)butyl]propanamide?
The InChIKey is BOXOWHCEDSQNFK-SFHVURJKSA-N. The full InChI is InChI=1S/C21H28N4O/c1-14(2)18(20-9-10-24-25(20)4)13-23-21(26)8-6-16-12-22-19-7-5-15(3)11-17(16)19/h5,7,9-12,14,18,22H,6,8,13H2,1-4H3,(H,23,26)/t18-/m0/s1.
What are the key properties of 3-(5-methyl-1H-indol-3-yl)-N-[(2R)-3-methyl-2-(2-methylpyrazol-3-yl)butyl]propanamide?
3-(5-methyl-1H-indol-3-yl)-N-[(2R)-3-methyl-2-(2-methylpyrazol-3-yl)butyl]propanamide has a molecular weight of 352.48 g/mol, XLogP of 3.70, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-1H-indol-3-yl)-N-[(2R)-3-methyl-2-(2-methylpyrazol-3-yl)butyl]propanamide is sourced from PubChem (CID 124725974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).