4-(5-acetamido-3-methylpyrazol-1-yl)-N-(2-methoxyethyl)benzamide

C16H20N4O3 — CID 4309811

IUPAC4-(5-acetamido-3-methylpyrazol-1-yl)-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1ccc(-n2nc(C)cc2NC(C)=O)cc1
InChIInChI=1S/C16H20N4O3/c1-11-10-15(18-12(2)21)20(19-11)14-6-4-13(5-7-14)16(22)17-8-9-23-3/h4-7,10H,8-9H2,1-3H3,(H,17,22)(H,18,21)
InChIKeyKIUOZVPNLQGCKU-UHFFFAOYSA-N
MW316.36 g/mol
LogP1.52
Rot. Bonds6

About 4-(5-acetamido-3-methylpyrazol-1-yl)-N-(2-methoxyethyl)benzamide

4-(5-acetamido-3-methylpyrazol-1-yl)-N-(2-methoxyethyl)benzamide (PubChem CID 4309811) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is 4-(5-acetamido-3-methylpyrazol-1-yl)-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound Name4-(5-acetamido-3-methylpyrazol-1-yl)-N-(2-methoxyethyl)benzamide
PubChem CID4309811
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name4-(5-acetamido-3-methylpyrazol-1-yl)-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1ccc(-n2nc(C)cc2NC(C)=O)cc1
InChIInChI=1S/C16H20N4O3/c1-11-10-15(18-12(2)21)20(19-11)14-6-4-13(5-7-14)16(22)17-8-9-23-3/h4-7,10H,8-9H2,1-3H3,(H,17,22)(H,18,21)
InChIKeyKIUOZVPNLQGCKU-UHFFFAOYSA-N
XLogP1.52
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.52
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

4-(5-acetamido-3-methylpyrazol-1-yl)-N-(2-amino-2-oxoethyl)benzamide
CID 3332935
4-(5-acetamido-3-methylpyrazol-1-yl)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzamide
CID 34421347
4-[3-methyl-5-(propanoylamino)pyrazol-1-yl]-N-(2-phenylethyl)benzamide
CID 3549252
4-methoxy-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]benzamide
CID 2352142
N-(3-methoxypropyl)-4-(3-methyl-5-phenylpyrazol-1-yl)benzamide
CID 4862190
N-[2-[[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl]-4-methoxybenzamide
CID 75466540
4-(3,5-dimethylpyrazol-1-yl)-N-[3-(2-hydroxyethoxy)propyl]benzamide
CID 110022369
N-(3-aminopropyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 119408817
4-chloro-N-[4-[[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]amino]-4-oxobutyl]benzamide
CID 112805744
4-(2,5-dimethylpyrrol-1-yl)-N-(2-methoxyethyl)benzamide
CID 30281157
4-(3,5-dimethylpyrazol-1-yl)-N-[[3-(2-methoxyethoxy)phenyl]methyl]benzamide
CID 55801026
N-(3-aminobutyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 119499461

Frequently Asked Questions

What is the IUPAC name of 4-(5-acetamido-3-methylpyrazol-1-yl)-N-(2-methoxyethyl)benzamide?
The IUPAC name of 4-(5-acetamido-3-methylpyrazol-1-yl)-N-(2-methoxyethyl)benzamide (CID 4309811) is 4-(5-acetamido-3-methylpyrazol-1-yl)-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for 4-(5-acetamido-3-methylpyrazol-1-yl)-N-(2-methoxyethyl)benzamide?
The canonical SMILES for 4-(5-acetamido-3-methylpyrazol-1-yl)-N-(2-methoxyethyl)benzamide is COCCNC(=O)c1ccc(-n2nc(C)cc2NC(C)=O)cc1.
What is the InChIKey of 4-(5-acetamido-3-methylpyrazol-1-yl)-N-(2-methoxyethyl)benzamide?
The InChIKey is KIUOZVPNLQGCKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-11-10-15(18-12(2)21)20(19-11)14-6-4-13(5-7-14)16(22)17-8-9-23-3/h4-7,10H,8-9H2,1-3H3,(H,17,22)(H,18,21).
What are the key properties of 4-(5-acetamido-3-methylpyrazol-1-yl)-N-(2-methoxyethyl)benzamide?
4-(5-acetamido-3-methylpyrazol-1-yl)-N-(2-methoxyethyl)benzamide has a molecular weight of 316.36 g/mol, XLogP of 1.52, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-acetamido-3-methylpyrazol-1-yl)-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 4309811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).