N-(2-acetylphenyl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetamide

C15H16ClN3O2 — CID 60546437

IUPACN-(2-acetylphenyl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetamide
SMILESCC(=O)c1ccccc1NC(=O)Cn1nc(C)c(Cl)c1C
InChIInChI=1S/C15H16ClN3O2/c1-9-15(16)10(2)19(18-9)8-14(21)17-13-7-5-4-6-12(13)11(3)20/h4-7H,8H2,1-3H3,(H,17,21)
InChIKeyMGFCWFDOYNEVDE-UHFFFAOYSA-N
MW305.77 g/mol
LogP2.99
Rot. Bonds4

About N-(2-acetylphenyl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetamide

N-(2-acetylphenyl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetamide (PubChem CID 60546437) has the molecular formula C15H16ClN3O2 and a molecular weight of 305.77 g/mol. Its IUPAC name is N-(2-acetylphenyl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-acetylphenyl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetamide
PubChem CID60546437
Molecular FormulaC15H16ClN3O2
Molecular Weight305.77 g/mol
Exact Mass305.09
IUPAC NameN-(2-acetylphenyl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetamide
SMILESCC(=O)c1ccccc1NC(=O)Cn1nc(C)c(Cl)c1C
InChIInChI=1S/C15H16ClN3O2/c1-9-15(16)10(2)19(18-9)8-14(21)17-13-7-5-4-6-12(13)11(3)20/h4-7H,8H2,1-3H3,(H,17,21)
InChIKeyMGFCWFDOYNEVDE-UHFFFAOYSA-N
XLogP2.99
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.77
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetyl]amino]-N-(3-methylphenyl)benzamide
CID 55811206
N-(2-acetylphenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 36526843
N-(2-aminophenyl)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)propanamide
CID 62130518
N-(5-amino-2-fluorophenyl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetamide
CID 62129491
N-(1,3-benzothiazol-2-yl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetamide
CID 5302441
1-(2-bromophenyl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethanone
CID 62129519
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(2,3-dichlorophenyl)acetamide
CID 43445407
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 7348161
N-(2-chlorophenyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide
CID 7277807
2-[4-(hydroxymethyl)-3,5-dimethylpyrazol-1-yl]-N-(2-methylphenyl)acetamide
CID 43647377
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(4-nitrophenyl)acetamide
CID 19525102
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(2-nitroanilino)ethyl]acetamide
CID 47049422

Frequently Asked Questions

What is the IUPAC name of N-(2-acetylphenyl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetamide?
The IUPAC name of N-(2-acetylphenyl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetamide (CID 60546437) is N-(2-acetylphenyl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetamide.
What is the SMILES notation for N-(2-acetylphenyl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetamide?
The canonical SMILES for N-(2-acetylphenyl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetamide is CC(=O)c1ccccc1NC(=O)Cn1nc(C)c(Cl)c1C.
What is the InChIKey of N-(2-acetylphenyl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetamide?
The InChIKey is MGFCWFDOYNEVDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O2/c1-9-15(16)10(2)19(18-9)8-14(21)17-13-7-5-4-6-12(13)11(3)20/h4-7H,8H2,1-3H3,(H,17,21).
What are the key properties of N-(2-acetylphenyl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetamide?
N-(2-acetylphenyl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetamide has a molecular weight of 305.77 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetylphenyl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetamide is sourced from PubChem (CID 60546437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).