N-(4-acetylphenyl)-2-(1H-pyrazol-5-yl)acetamide

C13H13N3O2 — CID 84575732

IUPACN-(4-acetylphenyl)-2-(1H-pyrazol-5-yl)acetamide
SMILESCC(=O)c1ccc(NC(=O)Cc2ccn[nH]2)cc1
InChIInChI=1S/C13H13N3O2/c1-9(17)10-2-4-11(5-3-10)15-13(18)8-12-6-7-14-16-12/h2-7H,8H2,1H3,(H,14,16)(H,15,18)
InChIKeyBCGKAGLDWVAGQC-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.79
Rot. Bonds4

About N-(4-acetylphenyl)-2-(1H-pyrazol-5-yl)acetamide

N-(4-acetylphenyl)-2-(1H-pyrazol-5-yl)acetamide (PubChem CID 84575732) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-(1H-pyrazol-5-yl)acetamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-(1H-pyrazol-5-yl)acetamide
PubChem CID84575732
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC NameN-(4-acetylphenyl)-2-(1H-pyrazol-5-yl)acetamide
SMILESCC(=O)c1ccc(NC(=O)Cc2ccn[nH]2)cc1
InChIInChI=1S/C13H13N3O2/c1-9(17)10-2-4-11(5-3-10)15-13(18)8-12-6-7-14-16-12/h2-7H,8H2,1H3,(H,14,16)(H,15,18)
InChIKeyBCGKAGLDWVAGQC-UHFFFAOYSA-N
XLogP1.79
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-4-[[2-(1H-pyrazol-5-yl)acetyl]amino]benzoic acid
CID 79139697
N-[4-[(4-acetylpiperazin-1-yl)methyl]phenyl]-2-(1H-pyrazol-5-yl)acetamide
CID 84596831
N-methyl-2-(1H-pyrazol-5-yl)acetamide
CID 79004016
2-(1H-pyrazol-5-yl)acetohydrazide
CID 4196186
N'-(4-acetamidophenyl)-N-(4-acetylphenyl)propanediamide
CID 108956176
N-tert-butyl-2-(1H-pyrazol-5-yl)acetamide
CID 79026363
N-(5-ethyl-1H-pyrazol-3-yl)-2-(1H-pyrazol-5-yl)acetamide
CID 115663310
N-(2-oxo-3H-1,3-benzoxazol-6-yl)-2-(1H-pyrazol-5-yl)acetamide
CID 112522925
N-(4-acetylphenyl)-2-(2-methylphenyl)acetamide
CID 24696355
methyl 2-(1H-pyrazol-5-yl)acetate
CID 50989154
3-oxo-N-[4-(1H-pyrazol-5-yl)phenyl]butanamide
CID 61248448
N-[2-(4-methoxyphenyl)-2-oxoethyl]-2-(1H-pyrazol-5-yl)acetamide
CID 84591726

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-(1H-pyrazol-5-yl)acetamide?
The IUPAC name of N-(4-acetylphenyl)-2-(1H-pyrazol-5-yl)acetamide (CID 84575732) is N-(4-acetylphenyl)-2-(1H-pyrazol-5-yl)acetamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-(1H-pyrazol-5-yl)acetamide?
The canonical SMILES for N-(4-acetylphenyl)-2-(1H-pyrazol-5-yl)acetamide is CC(=O)c1ccc(NC(=O)Cc2ccn[nH]2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-(1H-pyrazol-5-yl)acetamide?
The InChIKey is BCGKAGLDWVAGQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-9(17)10-2-4-11(5-3-10)15-13(18)8-12-6-7-14-16-12/h2-7H,8H2,1H3,(H,14,16)(H,15,18).
What are the key properties of N-(4-acetylphenyl)-2-(1H-pyrazol-5-yl)acetamide?
N-(4-acetylphenyl)-2-(1H-pyrazol-5-yl)acetamide has a molecular weight of 243.27 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-(1H-pyrazol-5-yl)acetamide is sourced from PubChem (CID 84575732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).