N-(3-chlorophenyl)-2-(3,5-dimethyl-4-phenoxypyrazol-1-yl)acetamide

C19H18ClN3O2 — CID 2746417

IUPACN-(3-chlorophenyl)-2-(3,5-dimethyl-4-phenoxypyrazol-1-yl)acetamide
SMILESCc1nn(CC(=O)Nc2cccc(Cl)c2)c(C)c1Oc1ccccc1
InChIInChI=1S/C19H18ClN3O2/c1-13-19(25-17-9-4-3-5-10-17)14(2)23(22-13)12-18(24)21-16-8-6-7-15(20)11-16/h3-11H,12H2,1-2H3,(H,21,24)
InChIKeyZHGVJFUSEVVKHP-UHFFFAOYSA-N
MW355.83 g/mol
LogP4.58
Rot. Bonds5

About N-(3-chlorophenyl)-2-(3,5-dimethyl-4-phenoxypyrazol-1-yl)acetamide

N-(3-chlorophenyl)-2-(3,5-dimethyl-4-phenoxypyrazol-1-yl)acetamide (PubChem CID 2746417) has the molecular formula C19H18ClN3O2 and a molecular weight of 355.83 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-(3,5-dimethyl-4-phenoxypyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-(3,5-dimethyl-4-phenoxypyrazol-1-yl)acetamide
PubChem CID2746417
Molecular FormulaC19H18ClN3O2
Molecular Weight355.83 g/mol
Exact Mass355.11
IUPAC NameN-(3-chlorophenyl)-2-(3,5-dimethyl-4-phenoxypyrazol-1-yl)acetamide
SMILESCc1nn(CC(=O)Nc2cccc(Cl)c2)c(C)c1Oc1ccccc1
InChIInChI=1S/C19H18ClN3O2/c1-13-19(25-17-9-4-3-5-10-17)14(2)23(22-13)12-18(24)21-16-8-6-7-15(20)11-16/h3-11H,12H2,1-2H3,(H,21,24)
InChIKeyZHGVJFUSEVVKHP-UHFFFAOYSA-N
XLogP4.58
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.83
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (4-{[(3-chlorophenoxy)acetyl]amino}-3,5-dimethyl-1H-pyrazol-1-yl)acetate
CID 1507424
N-(5-chloro-2-methoxyphenyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]acetamide
CID 1129711
N-(5-chloro-2-methoxyphenyl)-3-(3,5-dimethyl-1H-pyrazol-1-yl)propanamide
CID 8721994
2-(4-chlorophenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 4825974
2-(4-chlorophenoxy)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylpropanamide
CID 25163660
2-(3,5-dimethyl-4-phenoxypyrazol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 146152656
N-(3-chloro-4-methoxyphenyl)-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamide
CID 753166
N-(5-chloro-2-methoxyphenyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 711713
2-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 1101547
2-(3,5-dimethyl-4-phenoxypyrazol-1-yl)-N-(3-methylsulfanylphenyl)acetamide
CID 2746418
2-(4-chlorophenoxy)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]acetamide
CID 9501782
N-(5-chloro-2-methoxyphenyl)-5-methyl-2-phenylpyrazole-3-carboxamide
CID 16008298

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-(3,5-dimethyl-4-phenoxypyrazol-1-yl)acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-(3,5-dimethyl-4-phenoxypyrazol-1-yl)acetamide (CID 2746417) is N-(3-chlorophenyl)-2-(3,5-dimethyl-4-phenoxypyrazol-1-yl)acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-(3,5-dimethyl-4-phenoxypyrazol-1-yl)acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-(3,5-dimethyl-4-phenoxypyrazol-1-yl)acetamide is Cc1nn(CC(=O)Nc2cccc(Cl)c2)c(C)c1Oc1ccccc1.
What is the InChIKey of N-(3-chlorophenyl)-2-(3,5-dimethyl-4-phenoxypyrazol-1-yl)acetamide?
The InChIKey is ZHGVJFUSEVVKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O2/c1-13-19(25-17-9-4-3-5-10-17)14(2)23(22-13)12-18(24)21-16-8-6-7-15(20)11-16/h3-11H,12H2,1-2H3,(H,21,24).
What are the key properties of N-(3-chlorophenyl)-2-(3,5-dimethyl-4-phenoxypyrazol-1-yl)acetamide?
N-(3-chlorophenyl)-2-(3,5-dimethyl-4-phenoxypyrazol-1-yl)acetamide has a molecular weight of 355.83 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-(3,5-dimethyl-4-phenoxypyrazol-1-yl)acetamide is sourced from PubChem (CID 2746417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).