N-(3-indol-1-ylpropyl)-3-(1-phenylpyrazol-4-yl)propanamide

C23H24N4O — CID 55436838

IUPACN-(3-indol-1-ylpropyl)-3-(1-phenylpyrazol-4-yl)propanamide
SMILESO=C(CCc1cnn(-c2ccccc2)c1)NCCCn1ccc2ccccc21
InChIInChI=1S/C23H24N4O/c28-23(12-11-19-17-25-27(18-19)21-8-2-1-3-9-21)24-14-6-15-26-16-13-20-7-4-5-10-22(20)26/h1-5,7-10,13,16-18H,6,11-12,14-15H2,(H,24,28)
InChIKeyOMFUWCATIOOZIW-UHFFFAOYSA-N
MW372.47 g/mol
LogP3.97
Rot. Bonds8

About N-(3-indol-1-ylpropyl)-3-(1-phenylpyrazol-4-yl)propanamide

N-(3-indol-1-ylpropyl)-3-(1-phenylpyrazol-4-yl)propanamide (PubChem CID 55436838) has the molecular formula C23H24N4O and a molecular weight of 372.47 g/mol. Its IUPAC name is N-(3-indol-1-ylpropyl)-3-(1-phenylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-(3-indol-1-ylpropyl)-3-(1-phenylpyrazol-4-yl)propanamide
PubChem CID55436838
Molecular FormulaC23H24N4O
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC NameN-(3-indol-1-ylpropyl)-3-(1-phenylpyrazol-4-yl)propanamide
SMILESO=C(CCc1cnn(-c2ccccc2)c1)NCCCn1ccc2ccccc21
InChIInChI=1S/C23H24N4O/c28-23(12-11-19-17-25-27(18-19)21-8-2-1-3-9-21)24-14-6-15-26-16-13-20-7-4-5-10-22(20)26/h1-5,7-10,13,16-18H,6,11-12,14-15H2,(H,24,28)
InChIKeyOMFUWCATIOOZIW-UHFFFAOYSA-N
XLogP3.97
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(methylamino)propyl]-3-(1-phenylpyrazol-4-yl)propanamide;hydrochloride
CID 119430045
N-(3-indol-1-ylpropyl)-3-(4-methylphenyl)propanamide
CID 24554706
N-[2-(4-phenylpiperazin-1-yl)ethyl]-3-(1-phenylpyrazol-4-yl)propanamide
CID 46602126
N-[2-(1-phenylpyrazol-4-yl)ethyl]-3-thiophen-3-ylpropanamide
CID 134000730
N-[2-(4-methylphenoxy)ethyl]-3-(1-phenylpyrazol-4-yl)propanamide
CID 38449360
N-[2-(cycloheptylamino)ethyl]-3-(1-phenylpyrazol-4-yl)propanamide;hydrochloride
CID 119619446
N-[2-(cyclohexen-1-yl)ethyl]-3-(1-phenylpyrazol-4-yl)propanamide
CID 29261722
N-[2-(1H-indol-3-yl)ethyl]-3-(1-phenylpyrazol-4-yl)propanamide
CID 24512620
4-(4-chlorophenyl)-N-(3-indol-1-ylpropyl)-4-oxobutanamide
CID 55349212
N-[(3-aminocyclobutyl)methyl]-3-(1-phenylpyrazol-4-yl)propanamide
CID 167759352
N-(3-indol-1-ylpropyl)-2-(4-oxocinnolin-1-yl)acetamide
CID 17476622
N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-3-(1-phenylpyrazol-4-yl)propanamide
CID 18288048

Frequently Asked Questions

What is the IUPAC name of N-(3-indol-1-ylpropyl)-3-(1-phenylpyrazol-4-yl)propanamide?
The IUPAC name of N-(3-indol-1-ylpropyl)-3-(1-phenylpyrazol-4-yl)propanamide (CID 55436838) is N-(3-indol-1-ylpropyl)-3-(1-phenylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-(3-indol-1-ylpropyl)-3-(1-phenylpyrazol-4-yl)propanamide?
The canonical SMILES for N-(3-indol-1-ylpropyl)-3-(1-phenylpyrazol-4-yl)propanamide is O=C(CCc1cnn(-c2ccccc2)c1)NCCCn1ccc2ccccc21.
What is the InChIKey of N-(3-indol-1-ylpropyl)-3-(1-phenylpyrazol-4-yl)propanamide?
The InChIKey is OMFUWCATIOOZIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O/c28-23(12-11-19-17-25-27(18-19)21-8-2-1-3-9-21)24-14-6-15-26-16-13-20-7-4-5-10-22(20)26/h1-5,7-10,13,16-18H,6,11-12,14-15H2,(H,24,28).
What are the key properties of N-(3-indol-1-ylpropyl)-3-(1-phenylpyrazol-4-yl)propanamide?
N-(3-indol-1-ylpropyl)-3-(1-phenylpyrazol-4-yl)propanamide has a molecular weight of 372.47 g/mol, XLogP of 3.97, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-indol-1-ylpropyl)-3-(1-phenylpyrazol-4-yl)propanamide is sourced from PubChem (CID 55436838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).