[2-(ethylcarbamoylamino)-2-oxoethyl] 3-(2-methoxyphenyl)-1-phenylpyrazole-4-carboxylate

C22H22N4O5 — CID 31155703

IUPAC[2-(ethylcarbamoylamino)-2-oxoethyl] 3-(2-methoxyphenyl)-1-phenylpyrazole-4-carboxylate
SMILESCCNC(=O)NC(=O)COC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1OC
InChIInChI=1S/C22H22N4O5/c1-3-23-22(29)24-19(27)14-31-21(28)17-13-26(15-9-5-4-6-10-15)25-20(17)16-11-7-8-12-18(16)30-2/h4-13H,3,14H2,1-2H3,(H2,23,24,27,29)
InChIKeyKVXIPRQQWBUARY-UHFFFAOYSA-N
MW422.44 g/mol
LogP2.55
Rot. Bonds7

About [2-(ethylcarbamoylamino)-2-oxoethyl] 3-(2-methoxyphenyl)-1-phenylpyrazole-4-carboxylate

[2-(ethylcarbamoylamino)-2-oxoethyl] 3-(2-methoxyphenyl)-1-phenylpyrazole-4-carboxylate (PubChem CID 31155703) has the molecular formula C22H22N4O5 and a molecular weight of 422.44 g/mol. Its IUPAC name is [2-(ethylcarbamoylamino)-2-oxoethyl] 3-(2-methoxyphenyl)-1-phenylpyrazole-4-carboxylate.

Molecular Properties

Compound Name[2-(ethylcarbamoylamino)-2-oxoethyl] 3-(2-methoxyphenyl)-1-phenylpyrazole-4-carboxylate
PubChem CID31155703
Molecular FormulaC22H22N4O5
Molecular Weight422.44 g/mol
Exact Mass422.16
IUPAC Name[2-(ethylcarbamoylamino)-2-oxoethyl] 3-(2-methoxyphenyl)-1-phenylpyrazole-4-carboxylate
SMILESCCNC(=O)NC(=O)COC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1OC
InChIInChI=1S/C22H22N4O5/c1-3-23-22(29)24-19(27)14-31-21(28)17-13-26(15-9-5-4-6-10-15)25-20(17)16-11-7-8-12-18(16)30-2/h4-13H,3,14H2,1-2H3,(H2,23,24,27,29)
InChIKeyKVXIPRQQWBUARY-UHFFFAOYSA-N
XLogP2.55
TPSA111.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.44
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(cyclopropylamino)-2-oxoethyl] 3-(2,5-dimethoxyphenyl)-1-phenylpyrazole-4-carboxylate
CID 7684989
[(2R)-1-oxo-1-(propylamino)propan-2-yl] 3-(2-methoxyphenyl)-1-phenylpyrazole-4-carboxylate
CID 8985765
3-(2-methoxyphenyl)-N-[2-oxo-2-(propylamino)ethyl]-1-phenylpyrazole-4-carboxamide
CID 9163277
[2-(methylcarbamoylamino)-2-oxoethyl] 3-(4-methylphenyl)-1-phenylpyrazole-4-carboxylate
CID 7847187
ethyl 1-[2-[3-(2-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]oxyacetyl]piperidine-4-carboxylate
CID 55311360
[2-(2-methoxyethylamino)-2-oxoethyl] 3-(2-methylphenyl)-1-phenylpyrazole-4-carboxylate
CID 7806845
(2-benzamido-2-oxoethyl) 3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxylate
CID 41475844
3-(2-methoxyphenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1-phenylpyrazole-4-carboxamide
CID 9301390
N-(3-hydroxypropyl)-3-(2-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 78796345
3-(2-methoxyphenyl)-1-phenyl-N-[(2,4,5-trimethoxyphenyl)methyl]pyrazole-4-carboxamide
CID 31340329
3-(2-methoxyphenyl)-N-[(4-methylphenyl)methyl]-1-phenylpyrazole-4-carboxamide
CID 8781230
[2-(butylamino)-2-oxoethyl] 1,3-diphenylpyrazole-4-carboxylate
CID 2434472

Frequently Asked Questions

What is the IUPAC name of [2-(ethylcarbamoylamino)-2-oxoethyl] 3-(2-methoxyphenyl)-1-phenylpyrazole-4-carboxylate?
The IUPAC name of [2-(ethylcarbamoylamino)-2-oxoethyl] 3-(2-methoxyphenyl)-1-phenylpyrazole-4-carboxylate (CID 31155703) is [2-(ethylcarbamoylamino)-2-oxoethyl] 3-(2-methoxyphenyl)-1-phenylpyrazole-4-carboxylate.
What is the SMILES notation for [2-(ethylcarbamoylamino)-2-oxoethyl] 3-(2-methoxyphenyl)-1-phenylpyrazole-4-carboxylate?
The canonical SMILES for [2-(ethylcarbamoylamino)-2-oxoethyl] 3-(2-methoxyphenyl)-1-phenylpyrazole-4-carboxylate is CCNC(=O)NC(=O)COC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1OC.
What is the InChIKey of [2-(ethylcarbamoylamino)-2-oxoethyl] 3-(2-methoxyphenyl)-1-phenylpyrazole-4-carboxylate?
The InChIKey is KVXIPRQQWBUARY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O5/c1-3-23-22(29)24-19(27)14-31-21(28)17-13-26(15-9-5-4-6-10-15)25-20(17)16-11-7-8-12-18(16)30-2/h4-13H,3,14H2,1-2H3,(H2,23,24,27,29).
What are the key properties of [2-(ethylcarbamoylamino)-2-oxoethyl] 3-(2-methoxyphenyl)-1-phenylpyrazole-4-carboxylate?
[2-(ethylcarbamoylamino)-2-oxoethyl] 3-(2-methoxyphenyl)-1-phenylpyrazole-4-carboxylate has a molecular weight of 422.44 g/mol, XLogP of 2.55, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethylcarbamoylamino)-2-oxoethyl] 3-(2-methoxyphenyl)-1-phenylpyrazole-4-carboxylate is sourced from PubChem (CID 31155703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).