2-(2-chlorophenyl)-N-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]acetamide

C16H20ClN3O2 — CID 71976166

IUPAC2-(2-chlorophenyl)-N-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]acetamide
SMILESCOCCn1nc(C)c(NC(=O)Cc2ccccc2Cl)c1C
InChIInChI=1S/C16H20ClN3O2/c1-11-16(12(2)20(19-11)8-9-22-3)18-15(21)10-13-6-4-5-7-14(13)17/h4-7H,8-10H2,1-3H3,(H,18,21)
InChIKeyKUSOITZOBRPVAU-UHFFFAOYSA-N
MW321.81 g/mol
LogP2.98
Rot. Bonds6

About 2-(2-chlorophenyl)-N-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]acetamide

2-(2-chlorophenyl)-N-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]acetamide (PubChem CID 71976166) has the molecular formula C16H20ClN3O2 and a molecular weight of 321.81 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]acetamide
PubChem CID71976166
Molecular FormulaC16H20ClN3O2
Molecular Weight321.81 g/mol
Exact Mass321.12
IUPAC Name2-(2-chlorophenyl)-N-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]acetamide
SMILESCOCCn1nc(C)c(NC(=O)Cc2ccccc2Cl)c1C
InChIInChI=1S/C16H20ClN3O2/c1-11-16(12(2)20(19-11)8-9-22-3)18-15(21)10-13-6-4-5-7-14(13)17/h4-7H,8-10H2,1-3H3,(H,18,21)
InChIKeyKUSOITZOBRPVAU-UHFFFAOYSA-N
XLogP2.98
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.81
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]benzamide
CID 19335656
1-(2-chlorophenyl)-3-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]urea
CID 17374979
N-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1,5-dimethylpyrazole-4-carboxamide
CID 19412098
N-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-methylpyrazole-3-carboxamide
CID 4248327
N-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2,2,3,3,4,4,4-heptafluorobutanamide
CID 19335517
2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)acetamide
CID 95851460
2,4-dichloro-N-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]benzamide
CID 17088754
N-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-(3-methyl-4-nitropyrazol-1-yl)propanamide
CID 19335519
N-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3,4-diethoxybenzamide
CID 19412064
2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)-N-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]acetamide
CID 994069
N-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19412076
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propanamide
CID 19337696

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]acetamide?
The IUPAC name of 2-(2-chlorophenyl)-N-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]acetamide (CID 71976166) is 2-(2-chlorophenyl)-N-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]acetamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]acetamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]acetamide is COCCn1nc(C)c(NC(=O)Cc2ccccc2Cl)c1C.
What is the InChIKey of 2-(2-chlorophenyl)-N-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]acetamide?
The InChIKey is KUSOITZOBRPVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O2/c1-11-16(12(2)20(19-11)8-9-22-3)18-15(21)10-13-6-4-5-7-14(13)17/h4-7H,8-10H2,1-3H3,(H,18,21).
What are the key properties of 2-(2-chlorophenyl)-N-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]acetamide?
2-(2-chlorophenyl)-N-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]acetamide has a molecular weight of 321.81 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]acetamide is sourced from PubChem (CID 71976166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).