ethyl 2-[benzyl-(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]acetate

C21H22N4O3 — CID 86852495

IUPACethyl 2-[benzyl-(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]acetate
SMILESCCOC(=O)CN(Cc1ccccc1)C(=O)c1cnn(-c2ccccn2)c1C
InChIInChI=1S/C21H22N4O3/c1-3-28-20(26)15-24(14-17-9-5-4-6-10-17)21(27)18-13-23-25(16(18)2)19-11-7-8-12-22-19/h4-13H,3,14-15H2,1-2H3
InChIKeyHDCBCCWBOQFMRN-UHFFFAOYSA-N
MW378.43 g/mol
LogP2.78
Rot. Bonds7

About ethyl 2-[benzyl-(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]acetate

ethyl 2-[benzyl-(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]acetate (PubChem CID 86852495) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is ethyl 2-[benzyl-(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[benzyl-(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]acetate
PubChem CID86852495
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Nameethyl 2-[benzyl-(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]acetate
SMILESCCOC(=O)CN(Cc1ccccc1)C(=O)c1cnn(-c2ccccn2)c1C
InChIInChI=1S/C21H22N4O3/c1-3-28-20(26)15-24(14-17-9-5-4-6-10-17)21(27)18-13-23-25(16(18)2)19-11-7-8-12-22-19/h4-13H,3,14-15H2,1-2H3
InChIKeyHDCBCCWBOQFMRN-UHFFFAOYSA-N
XLogP2.78
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-5-methyl-N-phenyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 46481510
ethyl 2-[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]-2-phenylacetate
CID 108805316
ethyl 2-[(3-aminopyrazine-2-carbonyl)-benzylamino]acetate
CID 15377951
ethyl 2-[benzyl(quinoline-3-carbonyl)amino]acetate
CID 165352865
5-methyl-1-pyridin-2-ylpyrazole-4-carbohydrazide
CID 10998462
[2-(N-methylanilino)-2-oxoethyl] 5-methyl-1-pyridin-2-ylpyrazole-4-carboxylate
CID 55629523
ethyl 2-[benzyl(furan-2-carbonyl)amino]acetate
CID 51095282
N-(2-aminoethyl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 108793385
ethyl 1-[4-[benzyl(methyl)carbamoyl]phenyl]-5-methylpyrazole-4-carboxylate
CID 31972366
ethyl 2-[benzyl-(2-ethoxy-2-oxoethyl)amino]acetate
CID 5235503
4-[[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]methyl]benzoic acid
CID 108793390
3-[[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]methyl]benzoic acid
CID 108745436

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[benzyl-(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]acetate?
The IUPAC name of ethyl 2-[benzyl-(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]acetate (CID 86852495) is ethyl 2-[benzyl-(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]acetate.
What is the SMILES notation for ethyl 2-[benzyl-(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]acetate?
The canonical SMILES for ethyl 2-[benzyl-(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]acetate is CCOC(=O)CN(Cc1ccccc1)C(=O)c1cnn(-c2ccccn2)c1C.
What is the InChIKey of ethyl 2-[benzyl-(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]acetate?
The InChIKey is HDCBCCWBOQFMRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-3-28-20(26)15-24(14-17-9-5-4-6-10-17)21(27)18-13-23-25(16(18)2)19-11-7-8-12-22-19/h4-13H,3,14-15H2,1-2H3.
What are the key properties of ethyl 2-[benzyl-(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]acetate?
ethyl 2-[benzyl-(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]acetate has a molecular weight of 378.43 g/mol, XLogP of 2.78, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[benzyl-(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]acetate is sourced from PubChem (CID 86852495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).