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

C15H17N5O3 — CID 3332935

IUPAC4-(5-acetamido-3-methylpyrazol-1-yl)-N-(2-amino-2-oxoethyl)benzamide
SMILESCC(=O)Nc1cc(C)nn1-c1ccc(C(=O)NCC(N)=O)cc1
InChIInChI=1S/C15H17N5O3/c1-9-7-14(18-10(2)21)20(19-9)12-5-3-11(4-6-12)15(23)17-8-13(16)22/h3-7H,8H2,1-2H3,(H2,16,22)(H,17,23)(H,18,21)
InChIKeyQEYPMXYAVHCLLZ-UHFFFAOYSA-N
MW315.33 g/mol
LogP0.35
Rot. Bonds5

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

4-(5-acetamido-3-methylpyrazol-1-yl)-N-(2-amino-2-oxoethyl)benzamide (PubChem CID 3332935) has the molecular formula C15H17N5O3 and a molecular weight of 315.33 g/mol. Its IUPAC name is 4-(5-acetamido-3-methylpyrazol-1-yl)-N-(2-amino-2-oxoethyl)benzamide.

Molecular Properties

Compound Name4-(5-acetamido-3-methylpyrazol-1-yl)-N-(2-amino-2-oxoethyl)benzamide
PubChem CID3332935
Molecular FormulaC15H17N5O3
Molecular Weight315.33 g/mol
Exact Mass315.13
IUPAC Name4-(5-acetamido-3-methylpyrazol-1-yl)-N-(2-amino-2-oxoethyl)benzamide
SMILESCC(=O)Nc1cc(C)nn1-c1ccc(C(=O)NCC(N)=O)cc1
InChIInChI=1S/C15H17N5O3/c1-9-7-14(18-10(2)21)20(19-9)12-5-3-11(4-6-12)15(23)17-8-13(16)22/h3-7H,8H2,1-2H3,(H2,16,22)(H,17,23)(H,18,21)
InChIKeyQEYPMXYAVHCLLZ-UHFFFAOYSA-N
XLogP0.35
TPSA119.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(5-acetamido-3-methylpyrazol-1-yl)-N-(2-methoxyethyl)benzamide
CID 4309811
4-(5-acetamido-3-methylpyrazol-1-yl)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzamide
CID 34421347
N-[2-[[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl]-4-methoxybenzamide
CID 75466540
4-[3-methyl-5-(propanoylamino)pyrazol-1-yl]-N-(2-phenylethyl)benzamide
CID 3549252
N-(3-aminopropyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 119408817
4-(3,5-dimethylpyrazol-1-yl)-N-(2-methylpropyl)benzamide
CID 26365102
N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]pyridine-4-carboxamide
CID 71943772
4-methoxy-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]benzamide
CID 2352142
N-(3-aminobutyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 119499461
4-chloro-N-[4-[[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]amino]-4-oxobutyl]benzamide
CID 112805744
4-(3,5-dimethylpyrazol-1-yl)-N-[(4-methylphenyl)methyl]benzamide
CID 9112873
4-(3,5-dimethylpyrazol-1-yl)-N-[2-[di(propan-2-yl)amino]ethyl]benzamide
CID 26197510

Frequently Asked Questions

What is the IUPAC name of 4-(5-acetamido-3-methylpyrazol-1-yl)-N-(2-amino-2-oxoethyl)benzamide?
The IUPAC name of 4-(5-acetamido-3-methylpyrazol-1-yl)-N-(2-amino-2-oxoethyl)benzamide (CID 3332935) is 4-(5-acetamido-3-methylpyrazol-1-yl)-N-(2-amino-2-oxoethyl)benzamide.
What is the SMILES notation for 4-(5-acetamido-3-methylpyrazol-1-yl)-N-(2-amino-2-oxoethyl)benzamide?
The canonical SMILES for 4-(5-acetamido-3-methylpyrazol-1-yl)-N-(2-amino-2-oxoethyl)benzamide is CC(=O)Nc1cc(C)nn1-c1ccc(C(=O)NCC(N)=O)cc1.
What is the InChIKey of 4-(5-acetamido-3-methylpyrazol-1-yl)-N-(2-amino-2-oxoethyl)benzamide?
The InChIKey is QEYPMXYAVHCLLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O3/c1-9-7-14(18-10(2)21)20(19-9)12-5-3-11(4-6-12)15(23)17-8-13(16)22/h3-7H,8H2,1-2H3,(H2,16,22)(H,17,23)(H,18,21).
What are the key properties of 4-(5-acetamido-3-methylpyrazol-1-yl)-N-(2-amino-2-oxoethyl)benzamide?
4-(5-acetamido-3-methylpyrazol-1-yl)-N-(2-amino-2-oxoethyl)benzamide has a molecular weight of 315.33 g/mol, XLogP of 0.35, 5 rotatable bonds, 3 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-amino-2-oxoethyl)benzamide is sourced from PubChem (CID 3332935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).