N-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide

C20H26N4O — CID 70788742

IUPACN-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide
SMILESCCn1cc(CN(C)C(=O)Cc2c(C)[nH]c3c(C)ccc(C)c23)cn1
InChIInChI=1S/C20H26N4O/c1-6-24-12-16(10-21-24)11-23(5)18(25)9-17-15(4)22-20-14(3)8-7-13(2)19(17)20/h7-8,10,12,22H,6,9,11H2,1-5H3
InChIKeyAKJNJSBRHHNTAE-UHFFFAOYSA-N
MW338.46 g/mol
LogP3.51
Rot. Bonds5

About N-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide

N-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide (PubChem CID 70788742) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is N-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide
PubChem CID70788742
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC NameN-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide
SMILESCCn1cc(CN(C)C(=O)Cc2c(C)[nH]c3c(C)ccc(C)c23)cn1
InChIInChI=1S/C20H26N4O/c1-6-24-12-16(10-21-24)11-23(5)18(25)9-17-15(4)22-20-14(3)8-7-13(2)19(17)20/h7-8,10,12,22H,6,9,11H2,1-5H3
InChIKeyAKJNJSBRHHNTAE-UHFFFAOYSA-N
XLogP3.51
TPSA53.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylacetamide
CID 19619348
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide
CID 70779613
3,4-diethoxy-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzamide
CID 39891647
N-[(1-ethylpyrazol-4-yl)methyl]-N,2-dimethylpyrazole-3-carboxamide
CID 19575699
N-methyl-2-(2-methyl-1H-indol-3-yl)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 31960924
2-chloro-N-[(1-ethylpyrazol-4-yl)methyl]-N-propan-2-ylacetamide
CID 166408899
ethyl 3-[(1-ethylpyrazol-4-yl)methyl-methylamino]propanoate
CID 55040533
N-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 19515538
4-bromo-N-[(1-ethylpyrazol-4-yl)methyl]-N,1,5-trimethylpyrazole-3-carboxamide
CID 17020519
4-[[(1-ethylpyrazol-4-yl)methyl-methylamino]methyl]benzoic acid
CID 62126061
2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylacetamide
CID 4770398
3-[[(1-ethylpyrazol-4-yl)methyl-methylamino]methyl]-5-methyl-1,2-oxazole-4-carboxylic acid
CID 138003915

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide?
The IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide (CID 70788742) is N-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide.
What is the SMILES notation for N-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide?
The canonical SMILES for N-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide is CCn1cc(CN(C)C(=O)Cc2c(C)[nH]c3c(C)ccc(C)c23)cn1.
What is the InChIKey of N-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide?
The InChIKey is AKJNJSBRHHNTAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-6-24-12-16(10-21-24)11-23(5)18(25)9-17-15(4)22-20-14(3)8-7-13(2)19(17)20/h7-8,10,12,22H,6,9,11H2,1-5H3.
What are the key properties of N-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide?
N-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide has a molecular weight of 338.46 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide is sourced from PubChem (CID 70788742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).