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

C15H16ClN3O4 — CID 95748765

IUPACmethyl 4-[[2-(4-chlorophenoxy)acetyl]amino]-1,3-dimethylpyrazole-5-carboxylate
SMILESCOC(=O)c1c(NC(=O)COc2ccc(Cl)cc2)c(C)nn1C
InChIInChI=1S/C15H16ClN3O4/c1-9-13(14(15(21)22-3)19(2)18-9)17-12(20)8-23-11-6-4-10(16)5-7-11/h4-7H,8H2,1-3H3,(H,17,20)
InChIKeyFOBDBIPDWGVDSK-UHFFFAOYSA-N
MW337.76 g/mol
LogP2.19
Rot. Bonds5

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

methyl 4-[[2-(4-chlorophenoxy)acetyl]amino]-1,3-dimethylpyrazole-5-carboxylate (PubChem CID 95748765) has the molecular formula C15H16ClN3O4 and a molecular weight of 337.76 g/mol. Its IUPAC name is methyl 4-[[2-(4-chlorophenoxy)acetyl]amino]-1,3-dimethylpyrazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-[[2-(4-chlorophenoxy)acetyl]amino]-1,3-dimethylpyrazole-5-carboxylate
PubChem CID95748765
Molecular FormulaC15H16ClN3O4
Molecular Weight337.76 g/mol
Exact Mass337.08
IUPAC Namemethyl 4-[[2-(4-chlorophenoxy)acetyl]amino]-1,3-dimethylpyrazole-5-carboxylate
SMILESCOC(=O)c1c(NC(=O)COc2ccc(Cl)cc2)c(C)nn1C
InChIInChI=1S/C15H16ClN3O4/c1-9-13(14(15(21)22-3)19(2)18-9)17-12(20)8-23-11-6-4-10(16)5-7-11/h4-7H,8H2,1-3H3,(H,17,20)
InChIKeyFOBDBIPDWGVDSK-UHFFFAOYSA-N
XLogP2.19
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.76
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-[[2-(2,4-dichlorophenoxy)acetyl]amino]-1,3-dimethylpyrazole-5-carboxylate
CID 95749035
2-(4-chlorophenoxy)-N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)acetamide
CID 91969137
2-(4-chlorophenoxy)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 5305539
methyl 4-(3,3-dimethylbutanoylamino)-1,3-dimethylpyrazole-5-carboxylate
CID 95749097
methyl 4-[[2-(4-fluorophenoxy)acetyl]amino]-1,5-dimethylpyrazole-3-carboxylate
CID 95748123
N-(4-amino-2,6-dimethylphenyl)-2-(4-chlorophenoxy)acetamide
CID 50881036
2-(4-chlorophenoxy)-N-(6-methyl-3-pyridinyl)acetamide;ethane
CID 153349413
methyl 2-[[2-(4-chlorophenoxy)acetyl]amino]benzoate
CID 721359
methyl 4-[2-oxo-2-(2,4,6-trichloroanilino)ethoxy]benzoate
CID 7667580
[(2R)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 2-(4-chlorophenoxy)acetate
CID 8650159
methyl 4-[2-(3-chlorophenoxy)propanoylamino]-1,3-dimethylpyrazole-5-carboxylate
CID 110280784
2-(4-chlorophenoxy)-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]acetamide
CID 19283650

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-(4-chlorophenoxy)acetyl]amino]-1,3-dimethylpyrazole-5-carboxylate?
The IUPAC name of methyl 4-[[2-(4-chlorophenoxy)acetyl]amino]-1,3-dimethylpyrazole-5-carboxylate (CID 95748765) is methyl 4-[[2-(4-chlorophenoxy)acetyl]amino]-1,3-dimethylpyrazole-5-carboxylate.
What is the SMILES notation for methyl 4-[[2-(4-chlorophenoxy)acetyl]amino]-1,3-dimethylpyrazole-5-carboxylate?
The canonical SMILES for methyl 4-[[2-(4-chlorophenoxy)acetyl]amino]-1,3-dimethylpyrazole-5-carboxylate is COC(=O)c1c(NC(=O)COc2ccc(Cl)cc2)c(C)nn1C.
What is the InChIKey of methyl 4-[[2-(4-chlorophenoxy)acetyl]amino]-1,3-dimethylpyrazole-5-carboxylate?
The InChIKey is FOBDBIPDWGVDSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O4/c1-9-13(14(15(21)22-3)19(2)18-9)17-12(20)8-23-11-6-4-10(16)5-7-11/h4-7H,8H2,1-3H3,(H,17,20).
What are the key properties of methyl 4-[[2-(4-chlorophenoxy)acetyl]amino]-1,3-dimethylpyrazole-5-carboxylate?
methyl 4-[[2-(4-chlorophenoxy)acetyl]amino]-1,3-dimethylpyrazole-5-carboxylate has a molecular weight of 337.76 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-(4-chlorophenoxy)acetyl]amino]-1,3-dimethylpyrazole-5-carboxylate is sourced from PubChem (CID 95748765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).