2-indol-1-yl-N-[1-(2-methylpyrazol-3-yl)propyl]acetamide

C17H20N4O — CID 91829109

IUPAC2-indol-1-yl-N-[1-(2-methylpyrazol-3-yl)propyl]acetamide
SMILESCCC(NC(=O)Cn1ccc2ccccc21)c1ccnn1C
InChIInChI=1S/C17H20N4O/c1-3-14(16-8-10-18-20(16)2)19-17(22)12-21-11-9-13-6-4-5-7-15(13)21/h4-11,14H,3,12H2,1-2H3,(H,19,22)
InChIKeyNJJJRGLQKPHABF-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.64
Rot. Bonds5

About 2-indol-1-yl-N-[1-(2-methylpyrazol-3-yl)propyl]acetamide

2-indol-1-yl-N-[1-(2-methylpyrazol-3-yl)propyl]acetamide (PubChem CID 91829109) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-indol-1-yl-N-[1-(2-methylpyrazol-3-yl)propyl]acetamide.

Molecular Properties

Compound Name2-indol-1-yl-N-[1-(2-methylpyrazol-3-yl)propyl]acetamide
PubChem CID91829109
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name2-indol-1-yl-N-[1-(2-methylpyrazol-3-yl)propyl]acetamide
SMILESCCC(NC(=O)Cn1ccc2ccccc21)c1ccnn1C
InChIInChI=1S/C17H20N4O/c1-3-14(16-8-10-18-20(16)2)19-17(22)12-21-11-9-13-6-4-5-7-15(13)21/h4-11,14H,3,12H2,1-2H3,(H,19,22)
InChIKeyNJJJRGLQKPHABF-UHFFFAOYSA-N
XLogP2.64
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-indol-1-ylacetyl)amino]butanoic acid
CID 119223861
2-indol-1-yl-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]acetamide
CID 91830303
3-[(2-indol-1-ylacetyl)amino]-3-(3-methylphenyl)propanoic acid
CID 166319506
(2R)-2-[(2-indol-1-ylacetyl)amino]-2-phenylacetic acid
CID 45491721
2-(3-methyl-N-methylsulfonylanilino)-N-[1-(2-methylpyrazol-3-yl)propyl]acetamide
CID 135119204
2-[(2-indol-1-ylacetyl)amino]-4-methylsulfanylbutanoic acid
CID 56920071
2-indol-1-yl-N-[(1R)-1-(oxan-4-yl)propyl]acetamide
CID 95784949
N-[1-(2-methylpyrazol-3-yl)propyl]-2-oxochromene-3-carboxamide
CID 171915214
3-indol-1-yl-N-[1-(4-methoxyphenyl)propyl]propanamide
CID 18115503
3-hydroxy-N-[1-(2-methylpyrazol-3-yl)propyl]pyridine-2-carboxamide
CID 91773008
N-[(1R)-1-(2-methylpyrazol-3-yl)propyl]-2-(1,2,4-triazol-4-yl)benzamide
CID 126425657
N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-2-indol-1-ylacetamide
CID 91766951

Frequently Asked Questions

What is the IUPAC name of 2-indol-1-yl-N-[1-(2-methylpyrazol-3-yl)propyl]acetamide?
The IUPAC name of 2-indol-1-yl-N-[1-(2-methylpyrazol-3-yl)propyl]acetamide (CID 91829109) is 2-indol-1-yl-N-[1-(2-methylpyrazol-3-yl)propyl]acetamide.
What is the SMILES notation for 2-indol-1-yl-N-[1-(2-methylpyrazol-3-yl)propyl]acetamide?
The canonical SMILES for 2-indol-1-yl-N-[1-(2-methylpyrazol-3-yl)propyl]acetamide is CCC(NC(=O)Cn1ccc2ccccc21)c1ccnn1C.
What is the InChIKey of 2-indol-1-yl-N-[1-(2-methylpyrazol-3-yl)propyl]acetamide?
The InChIKey is NJJJRGLQKPHABF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-3-14(16-8-10-18-20(16)2)19-17(22)12-21-11-9-13-6-4-5-7-15(13)21/h4-11,14H,3,12H2,1-2H3,(H,19,22).
What are the key properties of 2-indol-1-yl-N-[1-(2-methylpyrazol-3-yl)propyl]acetamide?
2-indol-1-yl-N-[1-(2-methylpyrazol-3-yl)propyl]acetamide has a molecular weight of 296.37 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-indol-1-yl-N-[1-(2-methylpyrazol-3-yl)propyl]acetamide is sourced from PubChem (CID 91829109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).