N-(3-chlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)acetamide

C13H14ClN3O — CID 110858844

IUPACN-(3-chlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)acetamide
SMILESCc1cc(CC(=O)Nc2cccc(Cl)c2)n(C)n1
InChIInChI=1S/C13H14ClN3O/c1-9-6-12(17(2)16-9)8-13(18)15-11-5-3-4-10(14)7-11/h3-7H,8H2,1-2H3,(H,15,18)
InChIKeyLMJGMUNKGRPJDN-UHFFFAOYSA-N
MW263.73 g/mol
LogP2.56
Rot. Bonds3

About N-(3-chlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)acetamide

N-(3-chlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)acetamide (PubChem CID 110858844) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)acetamide
PubChem CID110858844
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC NameN-(3-chlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)acetamide
SMILESCc1cc(CC(=O)Nc2cccc(Cl)c2)n(C)n1
InChIInChI=1S/C13H14ClN3O/c1-9-6-12(17(2)16-9)8-13(18)15-11-5-3-4-10(14)7-11/h3-7H,8H2,1-2H3,(H,15,18)
InChIKeyLMJGMUNKGRPJDN-UHFFFAOYSA-N
XLogP2.56
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-dimethylpyrazol-3-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 110858132
1-(3-chlorophenyl)-3-(2,5-dimethylpyrazol-3-yl)urea
CID 47363703
N-(3-chlorophenyl)-2-(3-methylphenyl)acetamide
CID 9497443
N-[(2-chlorophenyl)methyl]-2-(2,5-dimethylpyrazol-3-yl)acetamide
CID 110851373
N-(3-chlorophenyl)-2-[(1,5-dimethylpyrazol-4-yl)methylamino]acetamide
CID 106044881
N-(3-chlorophenyl)-3-(3-methyl-6-oxopyridazin-1-yl)propanamide
CID 71991611
N-(3-chlorophenyl)-2-(2,2-dimethylpropylamino)acetamide
CID 61168620
N-(3-chlorophenyl)-2-(4-iodo-3,5-dimethylpyrazol-1-yl)acetamide
CID 5299196
N-(3-chlorophenyl)-2-(4,5-dimethylimidazol-1-yl)acetamide
CID 115616708
1-(2-chloro-3-methylphenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanone
CID 114978978
2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]-N-(3-chlorophenyl)acetamide
CID 43647452
N,N'-bis(3-chlorophenyl)pentanediamide
CID 1011389

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)acetamide (CID 110858844) is N-(3-chlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)acetamide is Cc1cc(CC(=O)Nc2cccc(Cl)c2)n(C)n1.
What is the InChIKey of N-(3-chlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)acetamide?
The InChIKey is LMJGMUNKGRPJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O/c1-9-6-12(17(2)16-9)8-13(18)15-11-5-3-4-10(14)7-11/h3-7H,8H2,1-2H3,(H,15,18).
What are the key properties of N-(3-chlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)acetamide?
N-(3-chlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)acetamide has a molecular weight of 263.73 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)acetamide is sourced from PubChem (CID 110858844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).