methyl 4-[(2-ethoxybenzoyl)amino]-1-methylpyrazole-5-carboxylate

C15H17N3O4 — CID 19342338

IUPACmethyl 4-[(2-ethoxybenzoyl)amino]-1-methylpyrazole-5-carboxylate
SMILESCCOc1ccccc1C(=O)Nc1cnn(C)c1C(=O)OC
InChIInChI=1S/C15H17N3O4/c1-4-22-12-8-6-5-7-10(12)14(19)17-11-9-16-18(2)13(11)15(20)21-3/h5-9H,4H2,1-3H3,(H,17,19)
InChIKeyHEPUDUPNHGIABG-UHFFFAOYSA-N
MW303.32 g/mol
LogP1.86
Rot. Bonds5

About methyl 4-[(2-ethoxybenzoyl)amino]-1-methylpyrazole-5-carboxylate

methyl 4-[(2-ethoxybenzoyl)amino]-1-methylpyrazole-5-carboxylate (PubChem CID 19342338) has the molecular formula C15H17N3O4 and a molecular weight of 303.32 g/mol. Its IUPAC name is methyl 4-[(2-ethoxybenzoyl)amino]-1-methylpyrazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(2-ethoxybenzoyl)amino]-1-methylpyrazole-5-carboxylate
PubChem CID19342338
Molecular FormulaC15H17N3O4
Molecular Weight303.32 g/mol
Exact Mass303.12
IUPAC Namemethyl 4-[(2-ethoxybenzoyl)amino]-1-methylpyrazole-5-carboxylate
SMILESCCOc1ccccc1C(=O)Nc1cnn(C)c1C(=O)OC
InChIInChI=1S/C15H17N3O4/c1-4-22-12-8-6-5-7-10(12)14(19)17-11-9-16-18(2)13(11)15(20)21-3/h5-9H,4H2,1-3H3,(H,17,19)
InChIKeyHEPUDUPNHGIABG-UHFFFAOYSA-N
XLogP1.86
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 ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(2-ethoxybenzoyl)amino]-1-methylpyrazole-5-carboxylic acid
CID 19406266
methyl 1-methyl-4-[[2-(2-methylphenoxy)acetyl]amino]pyrazole-5-carboxylate
CID 19342293
N-(2-ethoxyphenyl)-2-(2-methoxyethoxy)benzamide
CID 15943045
2-ethoxy-N-[4-[(2-ethoxybenzoyl)amino]phenyl]benzamide
CID 1011206
2-ethoxy-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
CID 19393618
2-ethoxy-N-(2-fluorophenyl)benzamide
CID 773674
4-[(3,4-diethoxybenzoyl)amino]-1-methylpyrazole-5-carboxamide
CID 19412187
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-ethoxybenzamide
CID 19282116
2-ethoxy-N-(2,3,4-trifluorophenyl)benzamide
CID 26358716
2-methoxy-N-(1-methyl-5-phenylpyrazol-4-yl)benzamide
CID 110664738
N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-2-ethoxybenzamide
CID 19322972
4-[[2-(difluoromethoxy)benzoyl]amino]-1-methyl-N-(2-methylpropyl)pyrazole-5-carboxamide
CID 19341835

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2-ethoxybenzoyl)amino]-1-methylpyrazole-5-carboxylate?
The IUPAC name of methyl 4-[(2-ethoxybenzoyl)amino]-1-methylpyrazole-5-carboxylate (CID 19342338) is methyl 4-[(2-ethoxybenzoyl)amino]-1-methylpyrazole-5-carboxylate.
What is the SMILES notation for methyl 4-[(2-ethoxybenzoyl)amino]-1-methylpyrazole-5-carboxylate?
The canonical SMILES for methyl 4-[(2-ethoxybenzoyl)amino]-1-methylpyrazole-5-carboxylate is CCOc1ccccc1C(=O)Nc1cnn(C)c1C(=O)OC.
What is the InChIKey of methyl 4-[(2-ethoxybenzoyl)amino]-1-methylpyrazole-5-carboxylate?
The InChIKey is HEPUDUPNHGIABG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4/c1-4-22-12-8-6-5-7-10(12)14(19)17-11-9-16-18(2)13(11)15(20)21-3/h5-9H,4H2,1-3H3,(H,17,19).
What are the key properties of methyl 4-[(2-ethoxybenzoyl)amino]-1-methylpyrazole-5-carboxylate?
methyl 4-[(2-ethoxybenzoyl)amino]-1-methylpyrazole-5-carboxylate has a molecular weight of 303.32 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2-ethoxybenzoyl)amino]-1-methylpyrazole-5-carboxylate is sourced from PubChem (CID 19342338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).