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

C21H20N4O — CID 8950246

IUPAC2-(1H-indol-3-yl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
SMILESCN(Cc1cnn(-c2ccccc2)c1)C(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C21H20N4O/c1-24(14-16-12-23-25(15-16)18-7-3-2-4-8-18)21(26)11-17-13-22-20-10-6-5-9-19(17)20/h2-10,12-13,15,22H,11,14H2,1H3
InChIKeyCLLSPCDQDGPRSS-UHFFFAOYSA-N
MW344.42 g/mol
LogP3.55
Rot. Bonds5

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

2-(1H-indol-3-yl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide (PubChem CID 8950246) has the molecular formula C21H20N4O and a molecular weight of 344.42 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
PubChem CID8950246
Molecular FormulaC21H20N4O
Molecular Weight344.42 g/mol
Exact Mass344.16
IUPAC Name2-(1H-indol-3-yl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
SMILESCN(Cc1cnn(-c2ccccc2)c1)C(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C21H20N4O/c1-24(14-16-12-23-25(15-16)18-7-3-2-4-8-18)21(26)11-17-13-22-20-10-6-5-9-19(17)20/h2-10,12-13,15,22H,11,14H2,1H3
InChIKeyCLLSPCDQDGPRSS-UHFFFAOYSA-N
XLogP3.55
TPSA53.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-(2-methyl-1H-indol-3-yl)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 31960924
2-(1H-indol-3-yl)-N-methyl-N-(pyridin-4-ylmethyl)acetamide
CID 43429962
N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-2-sulfanylacetamide
CID 122174227
2-[[2-(1H-indol-3-yl)acetyl]-methylamino]acetic acid
CID 24707532
N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 17471481
N-[2-(1H-indol-3-yl)ethyl]-3-(1-phenylpyrazol-4-yl)propanamide
CID 24512620
2-[(4-fluorophenyl)methyl-methylamino]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 18166271
2-hydroxy-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 24551539
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 8961867
2-(4-fluorophenoxy)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 8961646
N-methyl-4-[[methyl-[2-(1-phenylpyrazol-4-yl)acetyl]amino]methyl]benzamide
CID 38744068
2-(benzhydrylamino)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 24648715

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide?
The IUPAC name of 2-(1H-indol-3-yl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide (CID 8950246) is 2-(1H-indol-3-yl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide.
What is the SMILES notation for 2-(1H-indol-3-yl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide?
The canonical SMILES for 2-(1H-indol-3-yl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide is CN(Cc1cnn(-c2ccccc2)c1)C(=O)Cc1c[nH]c2ccccc12.
What is the InChIKey of 2-(1H-indol-3-yl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide?
The InChIKey is CLLSPCDQDGPRSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O/c1-24(14-16-12-23-25(15-16)18-7-3-2-4-8-18)21(26)11-17-13-22-20-10-6-5-9-19(17)20/h2-10,12-13,15,22H,11,14H2,1H3.
What are the key properties of 2-(1H-indol-3-yl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide?
2-(1H-indol-3-yl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide has a molecular weight of 344.42 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide is sourced from PubChem (CID 8950246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).