2-(2-methyl-1H-indol-3-yl)-N-(1-methyl-4-phenylpyrazol-5-yl)acetamide

C21H20N4O — CID 155909077

IUPAC2-(2-methyl-1H-indol-3-yl)-N-(1-methyl-4-phenylpyrazol-5-yl)acetamide
SMILESCc1[nH]c2ccccc2c1CC(=O)Nc1c(-c2ccccc2)cnn1C
InChIInChI=1S/C21H20N4O/c1-14-17(16-10-6-7-11-19(16)23-14)12-20(26)24-21-18(13-22-25(21)2)15-8-4-3-5-9-15/h3-11,13,23H,12H2,1-2H3,(H,24,26)
InChIKeyRDVPNVXHXVDVQF-UHFFFAOYSA-N
MW344.42 g/mol
LogP4.06
Rot. Bonds4

About 2-(2-methyl-1H-indol-3-yl)-N-(1-methyl-4-phenylpyrazol-5-yl)acetamide

2-(2-methyl-1H-indol-3-yl)-N-(1-methyl-4-phenylpyrazol-5-yl)acetamide (PubChem CID 155909077) has the molecular formula C21H20N4O and a molecular weight of 344.42 g/mol. Its IUPAC name is 2-(2-methyl-1H-indol-3-yl)-N-(1-methyl-4-phenylpyrazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(2-methyl-1H-indol-3-yl)-N-(1-methyl-4-phenylpyrazol-5-yl)acetamide
PubChem CID155909077
Molecular FormulaC21H20N4O
Molecular Weight344.42 g/mol
Exact Mass344.16
IUPAC Name2-(2-methyl-1H-indol-3-yl)-N-(1-methyl-4-phenylpyrazol-5-yl)acetamide
SMILESCc1[nH]c2ccccc2c1CC(=O)Nc1c(-c2ccccc2)cnn1C
InChIInChI=1S/C21H20N4O/c1-14-17(16-10-6-7-11-19(16)23-14)12-20(26)24-21-18(13-22-25(21)2)15-8-4-3-5-9-15/h3-11,13,23H,12H2,1-2H3,(H,24,26)
InChIKeyRDVPNVXHXVDVQF-UHFFFAOYSA-N
XLogP4.06
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

2-(2-methyl-1H-indol-3-yl)-N-(5-phenyl-1,3-thiazol-2-yl)acetamide
CID 86979349
2-(2-methyl-1H-indol-3-yl)-N-(6-methyl-2-pyridinyl)acetamide
CID 31903883
N-(4-ethyl-1H-pyrazol-5-yl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 115680666
N-(2-hydroxyphenyl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 31984043
2-(2-methyl-1H-indol-3-yl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide
CID 56755966
N-(2-aminopropyl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 110833859
N-(4-hydroxybutan-2-yl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 81042798
2-(2-methyl-1H-indol-3-yl)-N-(2-phenylethyl)acetamide
CID 31852687
N-(3-chlorophenyl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 31856117
2-(2-methyl-1H-indol-3-yl)-N-(2,3,4-trifluorophenyl)acetamide
CID 113211384
2-[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]pentanoic acid
CID 43630780
N-(2,3-dihydroxypropyl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 66175804

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1H-indol-3-yl)-N-(1-methyl-4-phenylpyrazol-5-yl)acetamide?
The IUPAC name of 2-(2-methyl-1H-indol-3-yl)-N-(1-methyl-4-phenylpyrazol-5-yl)acetamide (CID 155909077) is 2-(2-methyl-1H-indol-3-yl)-N-(1-methyl-4-phenylpyrazol-5-yl)acetamide.
What is the SMILES notation for 2-(2-methyl-1H-indol-3-yl)-N-(1-methyl-4-phenylpyrazol-5-yl)acetamide?
The canonical SMILES for 2-(2-methyl-1H-indol-3-yl)-N-(1-methyl-4-phenylpyrazol-5-yl)acetamide is Cc1[nH]c2ccccc2c1CC(=O)Nc1c(-c2ccccc2)cnn1C.
What is the InChIKey of 2-(2-methyl-1H-indol-3-yl)-N-(1-methyl-4-phenylpyrazol-5-yl)acetamide?
The InChIKey is RDVPNVXHXVDVQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O/c1-14-17(16-10-6-7-11-19(16)23-14)12-20(26)24-21-18(13-22-25(21)2)15-8-4-3-5-9-15/h3-11,13,23H,12H2,1-2H3,(H,24,26).
What are the key properties of 2-(2-methyl-1H-indol-3-yl)-N-(1-methyl-4-phenylpyrazol-5-yl)acetamide?
2-(2-methyl-1H-indol-3-yl)-N-(1-methyl-4-phenylpyrazol-5-yl)acetamide has a molecular weight of 344.42 g/mol, XLogP of 4.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1H-indol-3-yl)-N-(1-methyl-4-phenylpyrazol-5-yl)acetamide is sourced from PubChem (CID 155909077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).