1-propanoyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-2,3-dihydroindole-5-carboxamide

C23H24N4O2 — CID 55788815

IUPAC1-propanoyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-2,3-dihydroindole-5-carboxamide
SMILESCCC(=O)N1CCc2cc(C(=O)NCc3ccccc3Cn3cccn3)ccc21
InChIInChI=1S/C23H24N4O2/c1-2-22(28)27-13-10-17-14-18(8-9-21(17)27)23(29)24-15-19-6-3-4-7-20(19)16-26-12-5-11-25-26/h3-9,11-12,14H,2,10,13,15-16H2,1H3,(H,24,29)
InChIKeyYEJIDBAKMUWZJO-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.16
Rot. Bonds6

About 1-propanoyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-2,3-dihydroindole-5-carboxamide

1-propanoyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-2,3-dihydroindole-5-carboxamide (PubChem CID 55788815) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 1-propanoyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound Name1-propanoyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-2,3-dihydroindole-5-carboxamide
PubChem CID55788815
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name1-propanoyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-2,3-dihydroindole-5-carboxamide
SMILESCCC(=O)N1CCc2cc(C(=O)NCc3ccccc3Cn3cccn3)ccc21
InChIInChI=1S/C23H24N4O2/c1-2-22(28)27-13-10-17-14-18(8-9-21(17)27)23(29)24-15-19-6-3-4-7-20(19)16-26-12-5-11-25-26/h3-9,11-12,14H,2,10,13,15-16H2,1H3,(H,24,29)
InChIKeyYEJIDBAKMUWZJO-UHFFFAOYSA-N
XLogP3.16
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 55789985
N-[(6-methyl-2-pyridinyl)methyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 87041730
4-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 17483548
1-acetyl-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2,3-dihydroindole-5-carboxamide
CID 24550296
N-[[4-(diethylaminomethyl)phenyl]methyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 46490523
N-[3-(N-methylanilino)propyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 55787673
4-(2-oxoimidazolidin-1-yl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 46524589
N-[3-(ethylcarbamoyl)phenyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 47047847
N-[4-(2-methylpropanoylamino)phenyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 55787282
4-(1,3-dithiolan-2-yl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 24560815
N-(4-hydroxy-2-methylpentyl)-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 111447607
N-[(1-hydroxycyclohexyl)methyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 111446079

Frequently Asked Questions

What is the IUPAC name of 1-propanoyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-2,3-dihydroindole-5-carboxamide?
The IUPAC name of 1-propanoyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-2,3-dihydroindole-5-carboxamide (CID 55788815) is 1-propanoyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for 1-propanoyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for 1-propanoyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-2,3-dihydroindole-5-carboxamide is CCC(=O)N1CCc2cc(C(=O)NCc3ccccc3Cn3cccn3)ccc21.
What is the InChIKey of 1-propanoyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-2,3-dihydroindole-5-carboxamide?
The InChIKey is YEJIDBAKMUWZJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-2-22(28)27-13-10-17-14-18(8-9-21(17)27)23(29)24-15-19-6-3-4-7-20(19)16-26-12-5-11-25-26/h3-9,11-12,14H,2,10,13,15-16H2,1H3,(H,24,29).
What are the key properties of 1-propanoyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-2,3-dihydroindole-5-carboxamide?
1-propanoyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-2,3-dihydroindole-5-carboxamide has a molecular weight of 388.47 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propanoyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 55788815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).