ethyl 2-[2-methoxyethyl-[2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl]amino]acetate

C19H26N4O4 — CID 47082260

IUPACethyl 2-[2-methoxyethyl-[2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl]amino]acetate
SMILESCCOC(=O)CN(CCOC)CC(=O)Nc1cc(C)nn1-c1ccccc1
InChIInChI=1S/C19H26N4O4/c1-4-27-19(25)14-22(10-11-26-3)13-18(24)20-17-12-15(2)21-23(17)16-8-6-5-7-9-16/h5-9,12H,4,10-11,13-14H2,1-3H3,(H,20,24)
InChIKeyFUQWPQSOWRHDOH-UHFFFAOYSA-N
MW374.44 g/mol
LogP1.63
Rot. Bonds10

About ethyl 2-[2-methoxyethyl-[2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl]amino]acetate

ethyl 2-[2-methoxyethyl-[2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl]amino]acetate (PubChem CID 47082260) has the molecular formula C19H26N4O4 and a molecular weight of 374.44 g/mol. Its IUPAC name is ethyl 2-[2-methoxyethyl-[2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[2-methoxyethyl-[2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl]amino]acetate
PubChem CID47082260
Molecular FormulaC19H26N4O4
Molecular Weight374.44 g/mol
Exact Mass374.20
IUPAC Nameethyl 2-[2-methoxyethyl-[2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl]amino]acetate
SMILESCCOC(=O)CN(CCOC)CC(=O)Nc1cc(C)nn1-c1ccccc1
InChIInChI=1S/C19H26N4O4/c1-4-27-19(25)14-22(10-11-26-3)13-18(24)20-17-12-15(2)21-23(17)16-8-6-5-7-9-16/h5-9,12H,4,10-11,13-14H2,1-3H3,(H,20,24)
InChIKeyFUQWPQSOWRHDOH-UHFFFAOYSA-N
XLogP1.63
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[methyl-[2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl]amino]acetamide
CID 56814566
ethyl 3-[(5-methyl-2-phenylpyrazol-3-yl)amino]but-2-enoate
CID 2888865
diethyl-[2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl]azanium
CID 6932117
[2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl] 3-(2-methylphenoxy)propanoate
CID 7841934
ethyl 4-[butyl-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]amino]-4-oxobutanoate
CID 42732109
2-methoxy-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
CID 12735786
[2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl] 4-methoxybenzoate
CID 7872728
[2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl] 2-(4-fluorophenyl)sulfanylacetate
CID 9451889
ethyl 4-[[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-(2-methylpropyl)amino]-4-oxobutanoate
CID 42732122
2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide
CID 9406717
3,5-dimethoxy-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
CID 2359886
ethyl 2-[[[2-[[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-(3-methoxypropyl)carbamoyl]amino]acetate
CID 42735890

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-methoxyethyl-[2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl]amino]acetate?
The IUPAC name of ethyl 2-[2-methoxyethyl-[2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl]amino]acetate (CID 47082260) is ethyl 2-[2-methoxyethyl-[2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl]amino]acetate.
What is the SMILES notation for ethyl 2-[2-methoxyethyl-[2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl]amino]acetate?
The canonical SMILES for ethyl 2-[2-methoxyethyl-[2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl]amino]acetate is CCOC(=O)CN(CCOC)CC(=O)Nc1cc(C)nn1-c1ccccc1.
What is the InChIKey of ethyl 2-[2-methoxyethyl-[2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl]amino]acetate?
The InChIKey is FUQWPQSOWRHDOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O4/c1-4-27-19(25)14-22(10-11-26-3)13-18(24)20-17-12-15(2)21-23(17)16-8-6-5-7-9-16/h5-9,12H,4,10-11,13-14H2,1-3H3,(H,20,24).
What are the key properties of ethyl 2-[2-methoxyethyl-[2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl]amino]acetate?
ethyl 2-[2-methoxyethyl-[2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl]amino]acetate has a molecular weight of 374.44 g/mol, XLogP of 1.63, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-methoxyethyl-[2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl]amino]acetate is sourced from PubChem (CID 47082260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).