3-[[3-(3,5-dimethylpyrazol-1-yl)benzoyl]amino]-N-(2-methoxyethyl)-2-methylbenzamide

C23H26N4O3 — CID 131921932

IUPAC3-[[3-(3,5-dimethylpyrazol-1-yl)benzoyl]amino]-N-(2-methoxyethyl)-2-methylbenzamide
SMILESCOCCNC(=O)c1cccc(NC(=O)c2cccc(-n3nc(C)cc3C)c2)c1C
InChIInChI=1S/C23H26N4O3/c1-15-13-16(2)27(26-15)19-8-5-7-18(14-19)22(28)25-21-10-6-9-20(17(21)3)23(29)24-11-12-30-4/h5-10,13-14H,11-12H2,1-4H3,(H,24,29)(H,25,28)
InChIKeyKMEOOFJRRILLPY-UHFFFAOYSA-N
MW406.49 g/mol
LogP3.43
Rot. Bonds7

About 3-[[3-(3,5-dimethylpyrazol-1-yl)benzoyl]amino]-N-(2-methoxyethyl)-2-methylbenzamide

3-[[3-(3,5-dimethylpyrazol-1-yl)benzoyl]amino]-N-(2-methoxyethyl)-2-methylbenzamide (PubChem CID 131921932) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is 3-[[3-(3,5-dimethylpyrazol-1-yl)benzoyl]amino]-N-(2-methoxyethyl)-2-methylbenzamide.

Molecular Properties

Compound Name3-[[3-(3,5-dimethylpyrazol-1-yl)benzoyl]amino]-N-(2-methoxyethyl)-2-methylbenzamide
PubChem CID131921932
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC Name3-[[3-(3,5-dimethylpyrazol-1-yl)benzoyl]amino]-N-(2-methoxyethyl)-2-methylbenzamide
SMILESCOCCNC(=O)c1cccc(NC(=O)c2cccc(-n3nc(C)cc3C)c2)c1C
InChIInChI=1S/C23H26N4O3/c1-15-13-16(2)27(26-15)19-8-5-7-18(14-19)22(28)25-21-10-6-9-20(17(21)3)23(29)24-11-12-30-4/h5-10,13-14H,11-12H2,1-4H3,(H,24,29)(H,25,28)
InChIKeyKMEOOFJRRILLPY-UHFFFAOYSA-N
XLogP3.43
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(3,5-dimethylpyrazol-1-yl)-N-(2-methylsulfonylethyl)benzamide
CID 72859306
CID 58656859
CID 58656859
N-[2-(2-methoxyethylcarbamoyl)phenyl]-3,4-dimethylbenzamide
CID 100592155
N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-(3,5-dimethylpyrazol-1-yl)benzamide
CID 155910477
3-cyclopropyl-N-[3-(2-methoxyethylcarbamoyl)-2-methylphenyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 176501437
methyl 3-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-3-oxopropanoate
CID 156788382
ethyl 3-(3,5-dimethylpyrazol-1-yl)benzoate
CID 50883494
3-formamido-N-(2-methoxyethyl)-2-methylbenzamide
CID 168654330
N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-methyl-3-nitrobenzamide
CID 46476583
4-(5-acetamido-3-methylpyrazol-1-yl)-N-(2-methoxyethyl)benzamide
CID 4309811
N-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-3-(3,5-dimethylpyrazol-1-yl)benzamide
CID 155919058
tert-butyl 2-[[3-(3,5-dimethylpyrazol-1-yl)benzoyl]amino]-4-phenoxybenzoate
CID 91219214

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(3,5-dimethylpyrazol-1-yl)benzoyl]amino]-N-(2-methoxyethyl)-2-methylbenzamide?
The IUPAC name of 3-[[3-(3,5-dimethylpyrazol-1-yl)benzoyl]amino]-N-(2-methoxyethyl)-2-methylbenzamide (CID 131921932) is 3-[[3-(3,5-dimethylpyrazol-1-yl)benzoyl]amino]-N-(2-methoxyethyl)-2-methylbenzamide.
What is the SMILES notation for 3-[[3-(3,5-dimethylpyrazol-1-yl)benzoyl]amino]-N-(2-methoxyethyl)-2-methylbenzamide?
The canonical SMILES for 3-[[3-(3,5-dimethylpyrazol-1-yl)benzoyl]amino]-N-(2-methoxyethyl)-2-methylbenzamide is COCCNC(=O)c1cccc(NC(=O)c2cccc(-n3nc(C)cc3C)c2)c1C.
What is the InChIKey of 3-[[3-(3,5-dimethylpyrazol-1-yl)benzoyl]amino]-N-(2-methoxyethyl)-2-methylbenzamide?
The InChIKey is KMEOOFJRRILLPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-15-13-16(2)27(26-15)19-8-5-7-18(14-19)22(28)25-21-10-6-9-20(17(21)3)23(29)24-11-12-30-4/h5-10,13-14H,11-12H2,1-4H3,(H,24,29)(H,25,28).
What are the key properties of 3-[[3-(3,5-dimethylpyrazol-1-yl)benzoyl]amino]-N-(2-methoxyethyl)-2-methylbenzamide?
3-[[3-(3,5-dimethylpyrazol-1-yl)benzoyl]amino]-N-(2-methoxyethyl)-2-methylbenzamide has a molecular weight of 406.49 g/mol, XLogP of 3.43, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(3,5-dimethylpyrazol-1-yl)benzoyl]amino]-N-(2-methoxyethyl)-2-methylbenzamide is sourced from PubChem (CID 131921932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).