methyl 2-(2,4-dichlorophenyl)-2-[(2-methylpyrazole-3-carbonyl)amino]acetate

C14H13Cl2N3O3 — CID 86788263

IUPACmethyl 2-(2,4-dichlorophenyl)-2-[(2-methylpyrazole-3-carbonyl)amino]acetate
SMILESCOC(=O)C(NC(=O)c1ccnn1C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H13Cl2N3O3/c1-19-11(5-6-17-19)13(20)18-12(14(21)22-2)9-4-3-8(15)7-10(9)16/h3-7,12H,1-2H3,(H,18,20)
InChIKeyLCTWGPTVUQANDR-UHFFFAOYSA-N
MW342.18 g/mol
LogP2.37
Rot. Bonds4

About methyl 2-(2,4-dichlorophenyl)-2-[(2-methylpyrazole-3-carbonyl)amino]acetate

methyl 2-(2,4-dichlorophenyl)-2-[(2-methylpyrazole-3-carbonyl)amino]acetate (PubChem CID 86788263) has the molecular formula C14H13Cl2N3O3 and a molecular weight of 342.18 g/mol. Its IUPAC name is methyl 2-(2,4-dichlorophenyl)-2-[(2-methylpyrazole-3-carbonyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-(2,4-dichlorophenyl)-2-[(2-methylpyrazole-3-carbonyl)amino]acetate
PubChem CID86788263
Molecular FormulaC14H13Cl2N3O3
Molecular Weight342.18 g/mol
Exact Mass341.03
IUPAC Namemethyl 2-(2,4-dichlorophenyl)-2-[(2-methylpyrazole-3-carbonyl)amino]acetate
SMILESCOC(=O)C(NC(=O)c1ccnn1C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H13Cl2N3O3/c1-19-11(5-6-17-19)13(20)18-12(14(21)22-2)9-4-3-8(15)7-10(9)16/h3-7,12H,1-2H3,(H,18,20)
InChIKeyLCTWGPTVUQANDR-UHFFFAOYSA-N
XLogP2.37
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.18
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-4-fluorophenyl)-2-methylpyrazole-3-carboxamide
CID 6465834
methyl 2-(2,4-dichlorophenyl)-2-(2-fluoroanilino)acetate
CID 61001245
(2R)-2-[(2-methylpyrazole-3-carbonyl)amino]propanoic acid
CID 78972778
ethyl 2-(3-chlorophenyl)-2-[(2-methylpyrazole-3-carbonyl)amino]propanoate
CID 175151342
N-[1-(2-aminophenyl)ethyl]-2-methylpyrazole-3-carboxamide
CID 62920120
tert-butyl (2S)-3-methyl-2-[(2-methylpyrazole-3-carbonyl)amino]butanoate
CID 80707602
(2S)-3,3-dimethyl-2-[(2-methylpyrazole-3-carbonyl)amino]butanoic acid
CID 61143265
N-(2-amino-1-phenylethyl)-2-methylpyrazole-3-carboxamide
CID 63755943
2-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrazole-3-carboxamide
CID 146083478
N-[(1S)-1-(3-chloro-4-fluorophenyl)-2-[[4-[(1R)-1-(5-fluoro-2-oxo-1H-pyridin-3-yl)-2-methoxyethyl]-2-pyridinyl]amino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide
CID 178028393
N-(2-benzoyl-4-chlorophenyl)-2-methylpyrazole-3-carboxamide
CID 19475558
N-[1-(2,4-dichlorophenyl)-1-methoxypropan-2-yl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide
CID 25102833

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,4-dichlorophenyl)-2-[(2-methylpyrazole-3-carbonyl)amino]acetate?
The IUPAC name of methyl 2-(2,4-dichlorophenyl)-2-[(2-methylpyrazole-3-carbonyl)amino]acetate (CID 86788263) is methyl 2-(2,4-dichlorophenyl)-2-[(2-methylpyrazole-3-carbonyl)amino]acetate.
What is the SMILES notation for methyl 2-(2,4-dichlorophenyl)-2-[(2-methylpyrazole-3-carbonyl)amino]acetate?
The canonical SMILES for methyl 2-(2,4-dichlorophenyl)-2-[(2-methylpyrazole-3-carbonyl)amino]acetate is COC(=O)C(NC(=O)c1ccnn1C)c1ccc(Cl)cc1Cl.
What is the InChIKey of methyl 2-(2,4-dichlorophenyl)-2-[(2-methylpyrazole-3-carbonyl)amino]acetate?
The InChIKey is LCTWGPTVUQANDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N3O3/c1-19-11(5-6-17-19)13(20)18-12(14(21)22-2)9-4-3-8(15)7-10(9)16/h3-7,12H,1-2H3,(H,18,20).
What are the key properties of methyl 2-(2,4-dichlorophenyl)-2-[(2-methylpyrazole-3-carbonyl)amino]acetate?
methyl 2-(2,4-dichlorophenyl)-2-[(2-methylpyrazole-3-carbonyl)amino]acetate has a molecular weight of 342.18 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,4-dichlorophenyl)-2-[(2-methylpyrazole-3-carbonyl)amino]acetate is sourced from PubChem (CID 86788263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).