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

C14H16ClN3O — CID 110851373

IUPACN-[(2-chlorophenyl)methyl]-2-(2,5-dimethylpyrazol-3-yl)acetamide
SMILESCc1cc(CC(=O)NCc2ccccc2Cl)n(C)n1
InChIInChI=1S/C14H16ClN3O/c1-10-7-12(18(2)17-10)8-14(19)16-9-11-5-3-4-6-13(11)15/h3-7H,8-9H2,1-2H3,(H,16,19)
InChIKeyJTJQILZOTVMZMR-UHFFFAOYSA-N
MW277.75 g/mol
LogP2.24
Rot. Bonds4

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

N-[(2-chlorophenyl)methyl]-2-(2,5-dimethylpyrazol-3-yl)acetamide (PubChem CID 110851373) has the molecular formula C14H16ClN3O and a molecular weight of 277.75 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-(2,5-dimethylpyrazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-(2,5-dimethylpyrazol-3-yl)acetamide
PubChem CID110851373
Molecular FormulaC14H16ClN3O
Molecular Weight277.75 g/mol
Exact Mass277.10
IUPAC NameN-[(2-chlorophenyl)methyl]-2-(2,5-dimethylpyrazol-3-yl)acetamide
SMILESCc1cc(CC(=O)NCc2ccccc2Cl)n(C)n1
InChIInChI=1S/C14H16ClN3O/c1-10-7-12(18(2)17-10)8-14(19)16-9-11-5-3-4-6-13(11)15/h3-7H,8-9H2,1-2H3,(H,16,19)
InChIKeyJTJQILZOTVMZMR-UHFFFAOYSA-N
XLogP2.24
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-[(2-chlorophenyl)methyl]-3-(3,5-dimethylpyrazol-1-yl)butanamide
CID 92693192
N-[(2-chlorophenyl)methyl]-1-methylindazole-3-carboxamide
CID 71822183
N-[(2-chlorophenyl)methyl]-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
CID 3390597
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-[(2-chlorophenyl)methyl]acetamide
CID 43445326
N-(3-chlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)acetamide
CID 110858844
N-[(2-chlorophenyl)methyl]-2-(3,4-dimethylphenyl)acetamide
CID 2679540
ethyl 3-[(2-chlorophenyl)methylamino]-3-oxopropanoate
CID 23404876
N-[(2-chlorophenyl)methyl]-2-(2,6-dichlorophenyl)acetamide
CID 2679601
N-[(2-chlorophenyl)methyl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 47000839
5-[2-(chloromethyl)-3-(2-chlorophenyl)propyl]-1,3-dimethylpyrazole
CID 66050349
2-chloro-N-[(2-chlorophenyl)methyl]-6-methylpyridine-4-carboxamide
CID 113378301
N-[(2-chlorophenyl)methyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119673533

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-(2,5-dimethylpyrazol-3-yl)acetamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-(2,5-dimethylpyrazol-3-yl)acetamide (CID 110851373) is N-[(2-chlorophenyl)methyl]-2-(2,5-dimethylpyrazol-3-yl)acetamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-(2,5-dimethylpyrazol-3-yl)acetamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-(2,5-dimethylpyrazol-3-yl)acetamide is Cc1cc(CC(=O)NCc2ccccc2Cl)n(C)n1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-(2,5-dimethylpyrazol-3-yl)acetamide?
The InChIKey is JTJQILZOTVMZMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c1-10-7-12(18(2)17-10)8-14(19)16-9-11-5-3-4-6-13(11)15/h3-7H,8-9H2,1-2H3,(H,16,19).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-(2,5-dimethylpyrazol-3-yl)acetamide?
N-[(2-chlorophenyl)methyl]-2-(2,5-dimethylpyrazol-3-yl)acetamide has a molecular weight of 277.75 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-(2,5-dimethylpyrazol-3-yl)acetamide is sourced from PubChem (CID 110851373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).