2-(5-methylpyrazol-1-yl)-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]acetamide

C18H22N4O — CID 56877833

IUPAC2-(5-methylpyrazol-1-yl)-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]acetamide
SMILESCc1cc(CNC(=O)Cn2nccc2C)c2[nH]c(C)c(C)c2c1
InChIInChI=1S/C18H22N4O/c1-11-7-15(18-16(8-11)13(3)14(4)21-18)9-19-17(23)10-22-12(2)5-6-20-22/h5-8,21H,9-10H2,1-4H3,(H,19,23)
InChIKeyNMQWNNZBXLRYNB-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.91
Rot. Bonds4

About 2-(5-methylpyrazol-1-yl)-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]acetamide

2-(5-methylpyrazol-1-yl)-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]acetamide (PubChem CID 56877833) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 2-(5-methylpyrazol-1-yl)-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(5-methylpyrazol-1-yl)-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]acetamide
PubChem CID56877833
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name2-(5-methylpyrazol-1-yl)-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]acetamide
SMILESCc1cc(CNC(=O)Cn2nccc2C)c2[nH]c(C)c(C)c2c1
InChIInChI=1S/C18H22N4O/c1-11-7-15(18-16(8-11)13(3)14(4)21-18)9-19-17(23)10-22-12(2)5-6-20-22/h5-8,21H,9-10H2,1-4H3,(H,19,23)
InChIKeyNMQWNNZBXLRYNB-UHFFFAOYSA-N
XLogP2.91
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.91
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

1-pyridin-2-yl-3-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]urea
CID 47085396
2-(4-oxo-1,3-thiazolidin-3-yl)-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]acetamide
CID 51093568
1-[(2S)-butan-2-yl]-3-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]urea
CID 95557957
2-(3,4-dimethoxyphenyl)-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]acetamide
CID 56878946
1-ethyl-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]benzotriazole-5-carboxamide
CID 51126213
4-pyrazol-1-yl-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]piperidine-4-carboxamide;hydrochloride
CID 120928380
2-piperidin-1-yl-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]pyridine-3-carboxamide
CID 47080290
2-ethyl-4-methyl-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]-1,3-oxazole-5-carboxamide
CID 56875403
2-(5-methylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 35762711
3-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]propanamide
CID 98474413
N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]-1,4-dioxane-2-carboxamide
CID 71936903
(2R)-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]-1,4-dioxane-2-carboxamide
CID 95161921

Frequently Asked Questions

What is the IUPAC name of 2-(5-methylpyrazol-1-yl)-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]acetamide?
The IUPAC name of 2-(5-methylpyrazol-1-yl)-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]acetamide (CID 56877833) is 2-(5-methylpyrazol-1-yl)-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]acetamide.
What is the SMILES notation for 2-(5-methylpyrazol-1-yl)-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]acetamide?
The canonical SMILES for 2-(5-methylpyrazol-1-yl)-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]acetamide is Cc1cc(CNC(=O)Cn2nccc2C)c2[nH]c(C)c(C)c2c1.
What is the InChIKey of 2-(5-methylpyrazol-1-yl)-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]acetamide?
The InChIKey is NMQWNNZBXLRYNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-11-7-15(18-16(8-11)13(3)14(4)21-18)9-19-17(23)10-22-12(2)5-6-20-22/h5-8,21H,9-10H2,1-4H3,(H,19,23).
What are the key properties of 2-(5-methylpyrazol-1-yl)-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]acetamide?
2-(5-methylpyrazol-1-yl)-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]acetamide has a molecular weight of 310.40 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylpyrazol-1-yl)-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]acetamide is sourced from PubChem (CID 56877833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).