N-(4-chlorophenyl)-2-[(1,3-dimethylpyrazol-4-yl)amino]acetamide

C13H15ClN4O — CID 102805280

IUPACN-(4-chlorophenyl)-2-[(1,3-dimethylpyrazol-4-yl)amino]acetamide
SMILESCc1nn(C)cc1NCC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C13H15ClN4O/c1-9-12(8-18(2)17-9)15-7-13(19)16-11-5-3-10(14)4-6-11/h3-6,8,15H,7H2,1-2H3,(H,16,19)
InChIKeyWVLUYEWMNNOYBE-UHFFFAOYSA-N
MW278.74 g/mol
LogP2.43
Rot. Bonds4

About N-(4-chlorophenyl)-2-[(1,3-dimethylpyrazol-4-yl)amino]acetamide

N-(4-chlorophenyl)-2-[(1,3-dimethylpyrazol-4-yl)amino]acetamide (PubChem CID 102805280) has the molecular formula C13H15ClN4O and a molecular weight of 278.74 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[(1,3-dimethylpyrazol-4-yl)amino]acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[(1,3-dimethylpyrazol-4-yl)amino]acetamide
PubChem CID102805280
Molecular FormulaC13H15ClN4O
Molecular Weight278.74 g/mol
Exact Mass278.09
IUPAC NameN-(4-chlorophenyl)-2-[(1,3-dimethylpyrazol-4-yl)amino]acetamide
SMILESCc1nn(C)cc1NCC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C13H15ClN4O/c1-9-12(8-18(2)17-9)15-7-13(19)16-11-5-3-10(14)4-6-11/h3-6,8,15H,7H2,1-2H3,(H,16,19)
InChIKeyWVLUYEWMNNOYBE-UHFFFAOYSA-N
XLogP2.43
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1,3-dimethylpyrazol-4-yl)amino]-N-phenylacetamide
CID 102805405
2-[(1,3-dimethylpyrazol-4-yl)amino]-N-(2-fluorophenyl)acetamide
CID 102805391
N-(4-chlorophenyl)-2-[(1-methylpyrazol-3-yl)amino]acetamide
CID 79779586
2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-N-(4-methylphenyl)acetamide
CID 107462786
2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-N-phenylacetamide
CID 107462698
2-(2-acetamidoanilino)-N-(4-chlorophenyl)acetamide
CID 163304116
N-(4-acetamidophenyl)-2-(4-chloroanilino)acetamide
CID 2604426
N-(4-chlorophenyl)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]acetamide
CID 86804923
N-(5-chloro-2-methylphenyl)-2-[(3-ethyl-1-methylpyrazol-4-yl)amino]acetamide
CID 107462794
2-(5-bromo-2-chloroanilino)-N-(4-chlorophenyl)acetamide
CID 63492462
N-(4-chlorophenyl)-2-[[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]amino]benzamide
CID 78815790
1-(4-chlorophenyl)-3-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]urea
CID 2807795

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[(1,3-dimethylpyrazol-4-yl)amino]acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[(1,3-dimethylpyrazol-4-yl)amino]acetamide (CID 102805280) is N-(4-chlorophenyl)-2-[(1,3-dimethylpyrazol-4-yl)amino]acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[(1,3-dimethylpyrazol-4-yl)amino]acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[(1,3-dimethylpyrazol-4-yl)amino]acetamide is Cc1nn(C)cc1NCC(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-[(1,3-dimethylpyrazol-4-yl)amino]acetamide?
The InChIKey is WVLUYEWMNNOYBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O/c1-9-12(8-18(2)17-9)15-7-13(19)16-11-5-3-10(14)4-6-11/h3-6,8,15H,7H2,1-2H3,(H,16,19).
What are the key properties of N-(4-chlorophenyl)-2-[(1,3-dimethylpyrazol-4-yl)amino]acetamide?
N-(4-chlorophenyl)-2-[(1,3-dimethylpyrazol-4-yl)amino]acetamide has a molecular weight of 278.74 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[(1,3-dimethylpyrazol-4-yl)amino]acetamide is sourced from PubChem (CID 102805280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).