N-(5-chloro-2-methylphenyl)-2-(5-methylpyrazol-1-yl)acetamide

C13H14ClN3O — CID 19522694

IUPACN-(5-chloro-2-methylphenyl)-2-(5-methylpyrazol-1-yl)acetamide
SMILESCc1ccc(Cl)cc1NC(=O)Cn1nccc1C
InChIInChI=1S/C13H14ClN3O/c1-9-3-4-11(14)7-12(9)16-13(18)8-17-10(2)5-6-15-17/h3-7H,8H2,1-2H3,(H,16,18)
InChIKeyUPICFKSLYZDWTM-UHFFFAOYSA-N
MW263.73 g/mol
LogP2.79
Rot. Bonds3

About N-(5-chloro-2-methylphenyl)-2-(5-methylpyrazol-1-yl)acetamide

N-(5-chloro-2-methylphenyl)-2-(5-methylpyrazol-1-yl)acetamide (PubChem CID 19522694) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-2-(5-methylpyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-2-(5-methylpyrazol-1-yl)acetamide
PubChem CID19522694
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC NameN-(5-chloro-2-methylphenyl)-2-(5-methylpyrazol-1-yl)acetamide
SMILESCc1ccc(Cl)cc1NC(=O)Cn1nccc1C
InChIInChI=1S/C13H14ClN3O/c1-9-3-4-11(14)7-12(9)16-13(18)8-17-10(2)5-6-15-17/h3-7H,8H2,1-2H3,(H,16,18)
InChIKeyUPICFKSLYZDWTM-UHFFFAOYSA-N
XLogP2.79
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 ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dichlorophenyl)-2-(5-methylpyrazol-1-yl)acetamide
CID 19522722
N,N'-bis(5-chloro-2-methylphenyl)propanediamide
CID 1340673
1-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-(2,5-dichlorophenyl)-5-methyltriazole-4-carboxamide
CID 53335370
N-(5-chloro-2-methylphenyl)-2-[(2-methylpyrazol-3-yl)methylamino]acetamide
CID 63302325
2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(5-chloro-2-methylphenyl)acetamide
CID 19517380
2-(3-amino-1,2,4-triazol-1-yl)-N-(5-chloro-2-methylphenyl)acetamide
CID 54902129
N-(5-chloro-2-methylphenyl)-2-[(4-chlorophenyl)methylamino]acetamide
CID 43405190
N-(5-chloro-2-methylphenyl)-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide
CID 108955176
N-(5-chloro-2-methylphenyl)-2-(1-oxo-7,8,9,10-tetrahydro-[1,2,4]triazino[4,5-b]indazol-2-yl)acetamide
CID 46366209
N-(5-chloro-2-methylphenyl)-2-(1,3-oxazol-4-yl)acetamide
CID 110686353
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(2,5-dimethylphenyl)acetamide
CID 2365320
N-(5-chloro-2-methylphenyl)-2-(2,2-dimethylpropylamino)acetamide
CID 61165845

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-2-(5-methylpyrazol-1-yl)acetamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-2-(5-methylpyrazol-1-yl)acetamide (CID 19522694) is N-(5-chloro-2-methylphenyl)-2-(5-methylpyrazol-1-yl)acetamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-2-(5-methylpyrazol-1-yl)acetamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-2-(5-methylpyrazol-1-yl)acetamide is Cc1ccc(Cl)cc1NC(=O)Cn1nccc1C.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-2-(5-methylpyrazol-1-yl)acetamide?
The InChIKey is UPICFKSLYZDWTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O/c1-9-3-4-11(14)7-12(9)16-13(18)8-17-10(2)5-6-15-17/h3-7H,8H2,1-2H3,(H,16,18).
What are the key properties of N-(5-chloro-2-methylphenyl)-2-(5-methylpyrazol-1-yl)acetamide?
N-(5-chloro-2-methylphenyl)-2-(5-methylpyrazol-1-yl)acetamide has a molecular weight of 263.73 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-2-(5-methylpyrazol-1-yl)acetamide is sourced from PubChem (CID 19522694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).