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

C17H20N4O — CID 60527895

IUPACN-[2-(1H-indol-3-yl)ethyl]-3-(1-methylpyrazol-4-yl)propanamide
SMILESCn1cc(CCC(=O)NCCc2c[nH]c3ccccc23)cn1
InChIInChI=1S/C17H20N4O/c1-21-12-13(10-20-21)6-7-17(22)18-9-8-14-11-19-16-5-3-2-4-15(14)16/h2-5,10-12,19H,6-9H2,1H3,(H,18,22)
InChIKeySIGOUDMSYWGQRA-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.19
Rot. Bonds6

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

N-[2-(1H-indol-3-yl)ethyl]-3-(1-methylpyrazol-4-yl)propanamide (PubChem CID 60527895) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-3-(1-methylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-3-(1-methylpyrazol-4-yl)propanamide
PubChem CID60527895
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-3-(1-methylpyrazol-4-yl)propanamide
SMILESCn1cc(CCC(=O)NCCc2c[nH]c3ccccc23)cn1
InChIInChI=1S/C17H20N4O/c1-21-12-13(10-20-21)6-7-17(22)18-9-8-14-11-19-16-5-3-2-4-15(14)16/h2-5,10-12,19H,6-9H2,1H3,(H,18,22)
InChIKeySIGOUDMSYWGQRA-UHFFFAOYSA-N
XLogP2.19
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1H-indol-3-yl)ethyl]-3-(1-phenylpyrazol-4-yl)propanamide
CID 24512620
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 10664257
N-[2-(1H-indol-3-yl)ethyl]-3-(4-methylphenyl)propanamide
CID 16574540
methyl (2R)-3-(1H-indol-3-yl)-2-[3-(1-methylpyrazol-4-yl)propanoylamino]propanoate
CID 55941161
N-[2-(1-methylpyrazol-4-yl)ethyl]-1H-indole-3-carboxamide
CID 47381471
3-(4-aminophenyl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 28712929
N-[[2-(hydroxymethyl)phenyl]methyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 47466334
N-[2-(1H-indol-3-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 41359496
3-chloro-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 588711
N-[2-(1H-indol-3-yl)ethyl]-1-methyltriazole-4-carboxamide
CID 45497188
N-[2-(1H-indol-3-yl)ethyl]-6-pyrrol-1-ylhexanamide
CID 127253981
4-[2-(1H-indol-3-yl)ethylamino]-4-oxobutanoate
CID 7019224

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-3-(1-methylpyrazol-4-yl)propanamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-3-(1-methylpyrazol-4-yl)propanamide (CID 60527895) is N-[2-(1H-indol-3-yl)ethyl]-3-(1-methylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-3-(1-methylpyrazol-4-yl)propanamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-3-(1-methylpyrazol-4-yl)propanamide is Cn1cc(CCC(=O)NCCc2c[nH]c3ccccc23)cn1.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-3-(1-methylpyrazol-4-yl)propanamide?
The InChIKey is SIGOUDMSYWGQRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-21-12-13(10-20-21)6-7-17(22)18-9-8-14-11-19-16-5-3-2-4-15(14)16/h2-5,10-12,19H,6-9H2,1H3,(H,18,22).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-3-(1-methylpyrazol-4-yl)propanamide?
N-[2-(1H-indol-3-yl)ethyl]-3-(1-methylpyrazol-4-yl)propanamide has a molecular weight of 296.37 g/mol, XLogP of 2.19, 6 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-methylpyrazol-4-yl)propanamide is sourced from PubChem (CID 60527895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).