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

C22H22N4O — CID 31960924

IUPACN-methyl-2-(2-methyl-1H-indol-3-yl)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
SMILESCc1[nH]c2ccccc2c1CC(=O)N(C)Cc1cnn(-c2ccccc2)c1
InChIInChI=1S/C22H22N4O/c1-16-20(19-10-6-7-11-21(19)24-16)12-22(27)25(2)14-17-13-23-26(15-17)18-8-4-3-5-9-18/h3-11,13,15,24H,12,14H2,1-2H3
InChIKeyHQWDJXGQCPBEBH-UHFFFAOYSA-N
MW358.45 g/mol
LogP3.86
Rot. Bonds5

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

N-methyl-2-(2-methyl-1H-indol-3-yl)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide (PubChem CID 31960924) has the molecular formula C22H22N4O and a molecular weight of 358.45 g/mol. Its IUPAC name is N-methyl-2-(2-methyl-1H-indol-3-yl)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide.

Molecular Properties

Compound NameN-methyl-2-(2-methyl-1H-indol-3-yl)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
PubChem CID31960924
Molecular FormulaC22H22N4O
Molecular Weight358.45 g/mol
Exact Mass358.18
IUPAC NameN-methyl-2-(2-methyl-1H-indol-3-yl)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
SMILESCc1[nH]c2ccccc2c1CC(=O)N(C)Cc1cnn(-c2ccccc2)c1
InChIInChI=1S/C22H22N4O/c1-16-20(19-10-6-7-11-21(19)24-16)12-22(27)25(2)14-17-13-23-26(15-17)18-8-4-3-5-9-18/h3-11,13,15,24H,12,14H2,1-2H3
InChIKeyHQWDJXGQCPBEBH-UHFFFAOYSA-N
XLogP3.86
TPSA53.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-N-methyl-2-(2-methyl-1H-indol-3-yl)acetamide
CID 110702447
2-(1H-indol-3-yl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 8950246
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 8961867
N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-2-sulfanylacetamide
CID 122174227
N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 17471481
2-(5-chloro-2-methoxyphenyl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 8962293
N-methyl-2-(4-methyl-1-oxophthalazin-2-yl)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 29417377
2-[(4-fluorophenyl)methyl-methylamino]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 18166271
N-methyl-2-[methyl-[(4-methylphenyl)methyl]amino]-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 18166240
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-2-(1-phenylpyrazol-4-yl)acetamide
CID 31031484
N,5-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]thiophene-2-carboxamide
CID 17449715
N-methyl-2-(2-methylphenoxy)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 8950361

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-methyl-1H-indol-3-yl)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide?
The IUPAC name of N-methyl-2-(2-methyl-1H-indol-3-yl)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide (CID 31960924) is N-methyl-2-(2-methyl-1H-indol-3-yl)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide.
What is the SMILES notation for N-methyl-2-(2-methyl-1H-indol-3-yl)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide?
The canonical SMILES for N-methyl-2-(2-methyl-1H-indol-3-yl)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide is Cc1[nH]c2ccccc2c1CC(=O)N(C)Cc1cnn(-c2ccccc2)c1.
What is the InChIKey of N-methyl-2-(2-methyl-1H-indol-3-yl)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide?
The InChIKey is HQWDJXGQCPBEBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O/c1-16-20(19-10-6-7-11-21(19)24-16)12-22(27)25(2)14-17-13-23-26(15-17)18-8-4-3-5-9-18/h3-11,13,15,24H,12,14H2,1-2H3.
What are the key properties of N-methyl-2-(2-methyl-1H-indol-3-yl)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide?
N-methyl-2-(2-methyl-1H-indol-3-yl)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide has a molecular weight of 358.45 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-methyl-1H-indol-3-yl)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide is sourced from PubChem (CID 31960924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).