N-[2-(1H-indol-3-yl)ethyl]-3-(1-phenylpyrazol-4-yl)propanamide

C22H22N4O — CID 24512620

IUPACN-[2-(1H-indol-3-yl)ethyl]-3-(1-phenylpyrazol-4-yl)propanamide
SMILESO=C(CCc1cnn(-c2ccccc2)c1)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C22H22N4O/c27-22(23-13-12-18-15-24-21-9-5-4-8-20(18)21)11-10-17-14-25-26(16-17)19-6-2-1-3-7-19/h1-9,14-16,24H,10-13H2,(H,23,27)
InChIKeyLQPOYCAUJBTADI-UHFFFAOYSA-N
MW358.45 g/mol
LogP3.65
Rot. Bonds7

About N-[2-(1H-indol-3-yl)ethyl]-3-(1-phenylpyrazol-4-yl)propanamide

N-[2-(1H-indol-3-yl)ethyl]-3-(1-phenylpyrazol-4-yl)propanamide (PubChem CID 24512620) has the molecular formula C22H22N4O and a molecular weight of 358.45 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-3-(1-phenylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-3-(1-phenylpyrazol-4-yl)propanamide
PubChem CID24512620
Molecular FormulaC22H22N4O
Molecular Weight358.45 g/mol
Exact Mass358.18
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-3-(1-phenylpyrazol-4-yl)propanamide
SMILESO=C(CCc1cnn(-c2ccccc2)c1)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C22H22N4O/c27-22(23-13-12-18-15-24-21-9-5-4-8-20(18)21)11-10-17-14-25-26(16-17)19-6-2-1-3-7-19/h1-9,14-16,24H,10-13H2,(H,23,27)
InChIKeyLQPOYCAUJBTADI-UHFFFAOYSA-N
XLogP3.65
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1H-indol-3-yl)ethyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 60527895
1-[2-(1H-indol-3-yl)ethyl]-2-methyl-3-[2-(1-phenylpyrazol-4-yl)ethyl]guanidine;hydroiodide
CID 110997300
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 10664257
3-(4-aminophenyl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 28712929
N-[2-(1H-indol-3-yl)ethyl]-3-(4-methylphenyl)propanamide
CID 16574540
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-(1-phenylpyrazol-4-yl)propanamide
CID 31544557
N-[2-(1H-indol-3-yl)ethyl]-3-(5-phenyl-1,2-oxazol-4-yl)propanamide
CID 22220978
3-chloro-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 588711
2-(1H-indol-3-yl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 8950246
4-[2-(1H-indol-3-yl)ethylamino]-4-oxobutanoate
CID 7019224
4-[3-oxo-3-[(1-phenylpyrazol-4-yl)methylamino]propyl]benzoic acid
CID 84589243
N-[2-(1H-indol-3-yl)ethyl]-3-pyrazin-2-ylpropanamide
CID 28736534

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-3-(1-phenylpyrazol-4-yl)propanamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-3-(1-phenylpyrazol-4-yl)propanamide (CID 24512620) is N-[2-(1H-indol-3-yl)ethyl]-3-(1-phenylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-3-(1-phenylpyrazol-4-yl)propanamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-3-(1-phenylpyrazol-4-yl)propanamide is O=C(CCc1cnn(-c2ccccc2)c1)NCCc1c[nH]c2ccccc12.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-3-(1-phenylpyrazol-4-yl)propanamide?
The InChIKey is LQPOYCAUJBTADI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O/c27-22(23-13-12-18-15-24-21-9-5-4-8-20(18)21)11-10-17-14-25-26(16-17)19-6-2-1-3-7-19/h1-9,14-16,24H,10-13H2,(H,23,27).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-3-(1-phenylpyrazol-4-yl)propanamide?
N-[2-(1H-indol-3-yl)ethyl]-3-(1-phenylpyrazol-4-yl)propanamide has a molecular weight of 358.45 g/mol, XLogP of 3.65, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-3-(1-phenylpyrazol-4-yl)propanamide is sourced from PubChem (CID 24512620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).