methyl 4-[[2-(2,4-dichlorophenoxy)acetyl]amino]-1,3-dimethylpyrazole-5-carboxylate

C15H15Cl2N3O4 — CID 95749035

IUPACmethyl 4-[[2-(2,4-dichlorophenoxy)acetyl]amino]-1,3-dimethylpyrazole-5-carboxylate
SMILESCOC(=O)c1c(NC(=O)COc2ccc(Cl)cc2Cl)c(C)nn1C
InChIInChI=1S/C15H15Cl2N3O4/c1-8-13(14(15(22)23-3)20(2)19-8)18-12(21)7-24-11-5-4-9(16)6-10(11)17/h4-6H,7H2,1-3H3,(H,18,21)
InChIKeyXIXDRYYUIKXGDZ-UHFFFAOYSA-N
MW372.21 g/mol
LogP2.84
Rot. Bonds5

About methyl 4-[[2-(2,4-dichlorophenoxy)acetyl]amino]-1,3-dimethylpyrazole-5-carboxylate

methyl 4-[[2-(2,4-dichlorophenoxy)acetyl]amino]-1,3-dimethylpyrazole-5-carboxylate (PubChem CID 95749035) has the molecular formula C15H15Cl2N3O4 and a molecular weight of 372.21 g/mol. Its IUPAC name is methyl 4-[[2-(2,4-dichlorophenoxy)acetyl]amino]-1,3-dimethylpyrazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-[[2-(2,4-dichlorophenoxy)acetyl]amino]-1,3-dimethylpyrazole-5-carboxylate
PubChem CID95749035
Molecular FormulaC15H15Cl2N3O4
Molecular Weight372.21 g/mol
Exact Mass371.04
IUPAC Namemethyl 4-[[2-(2,4-dichlorophenoxy)acetyl]amino]-1,3-dimethylpyrazole-5-carboxylate
SMILESCOC(=O)c1c(NC(=O)COc2ccc(Cl)cc2Cl)c(C)nn1C
InChIInChI=1S/C15H15Cl2N3O4/c1-8-13(14(15(22)23-3)20(2)19-8)18-12(21)7-24-11-5-4-9(16)6-10(11)17/h4-6H,7H2,1-3H3,(H,18,21)
InChIKeyXIXDRYYUIKXGDZ-UHFFFAOYSA-N
XLogP2.84
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.21
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-[(5-chloro-2-methoxybenzoyl)amino]-1,3-dimethylpyrazole-5-carboxylate
CID 95749032
2-(2,4-dichlorophenoxy)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 2469908
methyl 3-[[2-(2,4-dichlorophenoxy)acetyl]amino]-2-methylbenzoate
CID 2208364
2-(2,4-dichlorophenoxy)-N-(2-ethyltetrazol-5-yl)acetamide;hydrochloride
CID 126468098
[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 5-chloro-2-methoxybenzoate
CID 7715367
2-(2-methoxy-4-methylphenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 9354234
N-(4-acetamidophenyl)-2-(2,4-dichlorophenoxy)acetamide
CID 1039828
2-(2,4-dichlorophenoxy)-N-(4-propan-2-ylphenyl)acetamide
CID 723348
methyl 4-(3,3-dimethylbutanoylamino)-1,3-dimethylpyrazole-5-carboxylate
CID 95749097
methyl 3-chloro-4-[2-(2,5-dichloroanilino)-2-oxoethoxy]benzoate
CID 55321046
potassium 2-(2,4-dichlorophenoxy)-N-oxidoacetamide
CID 23697377
2-(2,4-dichlorophenoxy)-N-(2,5-dimethylpyrrol-1-yl)acetamide
CID 12620177

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-(2,4-dichlorophenoxy)acetyl]amino]-1,3-dimethylpyrazole-5-carboxylate?
The IUPAC name of methyl 4-[[2-(2,4-dichlorophenoxy)acetyl]amino]-1,3-dimethylpyrazole-5-carboxylate (CID 95749035) is methyl 4-[[2-(2,4-dichlorophenoxy)acetyl]amino]-1,3-dimethylpyrazole-5-carboxylate.
What is the SMILES notation for methyl 4-[[2-(2,4-dichlorophenoxy)acetyl]amino]-1,3-dimethylpyrazole-5-carboxylate?
The canonical SMILES for methyl 4-[[2-(2,4-dichlorophenoxy)acetyl]amino]-1,3-dimethylpyrazole-5-carboxylate is COC(=O)c1c(NC(=O)COc2ccc(Cl)cc2Cl)c(C)nn1C.
What is the InChIKey of methyl 4-[[2-(2,4-dichlorophenoxy)acetyl]amino]-1,3-dimethylpyrazole-5-carboxylate?
The InChIKey is XIXDRYYUIKXGDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N3O4/c1-8-13(14(15(22)23-3)20(2)19-8)18-12(21)7-24-11-5-4-9(16)6-10(11)17/h4-6H,7H2,1-3H3,(H,18,21).
What are the key properties of methyl 4-[[2-(2,4-dichlorophenoxy)acetyl]amino]-1,3-dimethylpyrazole-5-carboxylate?
methyl 4-[[2-(2,4-dichlorophenoxy)acetyl]amino]-1,3-dimethylpyrazole-5-carboxylate has a molecular weight of 372.21 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-(2,4-dichlorophenoxy)acetyl]amino]-1,3-dimethylpyrazole-5-carboxylate is sourced from PubChem (CID 95749035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).