N-[3-(1H-indol-3-yl)propyl]-2-(1,3,5-trimethylpyrazol-4-yl)propanamide

C20H26N4O — CID 56783461

IUPACN-[3-(1H-indol-3-yl)propyl]-2-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1C(C)C(=O)NCCCc1c[nH]c2ccccc12
InChIInChI=1S/C20H26N4O/c1-13(19-14(2)23-24(4)15(19)3)20(25)21-11-7-8-16-12-22-18-10-6-5-9-17(16)18/h5-6,9-10,12-13,22H,7-8,11H2,1-4H3,(H,21,25)
InChIKeyBNLUFJMMYAQAQR-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.37
Rot. Bonds6

About N-[3-(1H-indol-3-yl)propyl]-2-(1,3,5-trimethylpyrazol-4-yl)propanamide

N-[3-(1H-indol-3-yl)propyl]-2-(1,3,5-trimethylpyrazol-4-yl)propanamide (PubChem CID 56783461) has the molecular formula C20H26N4O and a molecular weight of 338.45 g/mol. Its IUPAC name is N-[3-(1H-indol-3-yl)propyl]-2-(1,3,5-trimethylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[3-(1H-indol-3-yl)propyl]-2-(1,3,5-trimethylpyrazol-4-yl)propanamide
PubChem CID56783461
Molecular FormulaC20H26N4O
Molecular Weight338.45 g/mol
Exact Mass338.21
IUPAC NameN-[3-(1H-indol-3-yl)propyl]-2-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1C(C)C(=O)NCCCc1c[nH]c2ccccc12
InChIInChI=1S/C20H26N4O/c1-13(19-14(2)23-24(4)15(19)3)20(25)21-11-7-8-16-12-22-18-10-6-5-9-17(16)18/h5-6,9-10,12-13,22H,7-8,11H2,1-4H3,(H,21,25)
InChIKeyBNLUFJMMYAQAQR-UHFFFAOYSA-N
XLogP3.37
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(1H-indol-3-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 41359496
N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-4-(1H-indol-3-yl)butanamide
CID 19330007
N-[4-(1H-indol-3-yl)butyl]acetamide
CID 132534601
1-[2-(1H-indol-3-yl)ethyl]-2-methyl-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine
CID 110997009
1-(3-hydroxypropyl)-3-[3-(1H-indol-3-yl)propyl]urea
CID 111108819
1-(4-hydroxy-3-methylbutan-2-yl)-3-[3-(1H-indol-3-yl)propyl]urea
CID 111455373
1-[2-(1H-indol-3-yl)ethyl]-2-methyl-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine
CID 111779710
2-hydroxy-N-[2-(1H-indol-3-yl)ethyl]pentadecanamide
CID 90754390
3-amino-N-[3-(1H-indol-3-yl)propyl]propanamide
CID 119320787
(2S)-2-amino-N-[2-(1H-indol-3-yl)ethyl]propanamide;hydrochloride
CID 119263369
1-(4-hydroxy-2,2-dimethylpentyl)-3-[3-(1H-indol-3-yl)propyl]urea
CID 111506107
N-[2-(1H-indol-3-yl)ethyl]-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide
CID 136849781

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-indol-3-yl)propyl]-2-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The IUPAC name of N-[3-(1H-indol-3-yl)propyl]-2-(1,3,5-trimethylpyrazol-4-yl)propanamide (CID 56783461) is N-[3-(1H-indol-3-yl)propyl]-2-(1,3,5-trimethylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-[3-(1H-indol-3-yl)propyl]-2-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The canonical SMILES for N-[3-(1H-indol-3-yl)propyl]-2-(1,3,5-trimethylpyrazol-4-yl)propanamide is Cc1nn(C)c(C)c1C(C)C(=O)NCCCc1c[nH]c2ccccc12.
What is the InChIKey of N-[3-(1H-indol-3-yl)propyl]-2-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The InChIKey is BNLUFJMMYAQAQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-13(19-14(2)23-24(4)15(19)3)20(25)21-11-7-8-16-12-22-18-10-6-5-9-17(16)18/h5-6,9-10,12-13,22H,7-8,11H2,1-4H3,(H,21,25).
What are the key properties of N-[3-(1H-indol-3-yl)propyl]-2-(1,3,5-trimethylpyrazol-4-yl)propanamide?
N-[3-(1H-indol-3-yl)propyl]-2-(1,3,5-trimethylpyrazol-4-yl)propanamide has a molecular weight of 338.45 g/mol, XLogP of 3.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-indol-3-yl)propyl]-2-(1,3,5-trimethylpyrazol-4-yl)propanamide is sourced from PubChem (CID 56783461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).