methyl 1-methyl-4-[[2-(2-methylphenoxy)acetyl]amino]pyrazole-5-carboxylate

C15H17N3O4 — CID 19342293

IUPACmethyl 1-methyl-4-[[2-(2-methylphenoxy)acetyl]amino]pyrazole-5-carboxylate
SMILESCOC(=O)c1c(NC(=O)COc2ccccc2C)cnn1C
InChIInChI=1S/C15H17N3O4/c1-10-6-4-5-7-12(10)22-9-13(19)17-11-8-16-18(2)14(11)15(20)21-3/h4-8H,9H2,1-3H3,(H,17,19)
InChIKeyONMHJOZEDLXJNS-UHFFFAOYSA-N
MW303.32 g/mol
LogP1.53
Rot. Bonds5

About methyl 1-methyl-4-[[2-(2-methylphenoxy)acetyl]amino]pyrazole-5-carboxylate

methyl 1-methyl-4-[[2-(2-methylphenoxy)acetyl]amino]pyrazole-5-carboxylate (PubChem CID 19342293) has the molecular formula C15H17N3O4 and a molecular weight of 303.32 g/mol. Its IUPAC name is methyl 1-methyl-4-[[2-(2-methylphenoxy)acetyl]amino]pyrazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 1-methyl-4-[[2-(2-methylphenoxy)acetyl]amino]pyrazole-5-carboxylate
PubChem CID19342293
Molecular FormulaC15H17N3O4
Molecular Weight303.32 g/mol
Exact Mass303.12
IUPAC Namemethyl 1-methyl-4-[[2-(2-methylphenoxy)acetyl]amino]pyrazole-5-carboxylate
SMILESCOC(=O)c1c(NC(=O)COc2ccccc2C)cnn1C
InChIInChI=1S/C15H17N3O4/c1-10-6-4-5-7-12(10)22-9-13(19)17-11-8-16-18(2)14(11)15(20)21-3/h4-8H,9H2,1-3H3,(H,17,19)
InChIKeyONMHJOZEDLXJNS-UHFFFAOYSA-N
XLogP1.53
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-[(2-ethoxybenzoyl)amino]-1-methylpyrazole-5-carboxylate
CID 19342338
2-[[2-(2-methylphenoxy)acetyl]amino]benzamide
CID 4268113
methyl 4-methyl-2-[[2-(2-methylphenoxy)acetyl]amino]-1,3-thiazole-5-carboxylate
CID 3146505
2-(2-methylphenoxy)-N-pyridin-4-ylacetamide
CID 1101312
2-methyl-4-[[2-(2-methylphenoxy)acetyl]amino]-1H-pyrrole-3-carboxylic acid
CID 82876118
3-hydroxy-4-[[2-(2-methylphenoxy)acetyl]amino]benzoic acid
CID 108744198
N-(2-amino-4-methylphenyl)-2-(2-methylphenoxy)acetamide
CID 43376481
methyl 3-[[2-(2-ethoxyphenoxy)acetyl]amino]-4-methylbenzoate
CID 7840872
methyl 4-[[2-(4-bromo-3-methylpyrazol-1-yl)acetyl]amino]-1-methylpyrazole-5-carboxylate
CID 19342118
N-(4-hydroxyphenyl)-2-(2-methylphenoxy)acetamide
CID 38113216
N-(2-amino-4-fluorophenyl)-2-(2-methylphenoxy)acetamide
CID 16792862
2-(2-methylphenoxy)-N-[(2-methyltetrazol-5-yl)carbamothioyl]acetamide
CID 9185026

Frequently Asked Questions

What is the IUPAC name of methyl 1-methyl-4-[[2-(2-methylphenoxy)acetyl]amino]pyrazole-5-carboxylate?
The IUPAC name of methyl 1-methyl-4-[[2-(2-methylphenoxy)acetyl]amino]pyrazole-5-carboxylate (CID 19342293) is methyl 1-methyl-4-[[2-(2-methylphenoxy)acetyl]amino]pyrazole-5-carboxylate.
What is the SMILES notation for methyl 1-methyl-4-[[2-(2-methylphenoxy)acetyl]amino]pyrazole-5-carboxylate?
The canonical SMILES for methyl 1-methyl-4-[[2-(2-methylphenoxy)acetyl]amino]pyrazole-5-carboxylate is COC(=O)c1c(NC(=O)COc2ccccc2C)cnn1C.
What is the InChIKey of methyl 1-methyl-4-[[2-(2-methylphenoxy)acetyl]amino]pyrazole-5-carboxylate?
The InChIKey is ONMHJOZEDLXJNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4/c1-10-6-4-5-7-12(10)22-9-13(19)17-11-8-16-18(2)14(11)15(20)21-3/h4-8H,9H2,1-3H3,(H,17,19).
What are the key properties of methyl 1-methyl-4-[[2-(2-methylphenoxy)acetyl]amino]pyrazole-5-carboxylate?
methyl 1-methyl-4-[[2-(2-methylphenoxy)acetyl]amino]pyrazole-5-carboxylate has a molecular weight of 303.32 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-methyl-4-[[2-(2-methylphenoxy)acetyl]amino]pyrazole-5-carboxylate is sourced from PubChem (CID 19342293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).