[2-(methylcarbamoylamino)-2-oxoethyl] 1H-pyrazole-5-carboxylate

C8H10N4O4 — CID 46428902

IUPAC[2-(methylcarbamoylamino)-2-oxoethyl] 1H-pyrazole-5-carboxylate
SMILESCNC(=O)NC(=O)COC(=O)c1ccn[nH]1
InChIInChI=1S/C8H10N4O4/c1-9-8(15)11-6(13)4-16-7(14)5-2-3-10-12-5/h2-3H,4H2,1H3,(H,10,12)(H2,9,11,13,15)
InChIKeyWSDDZAXLINJKSX-UHFFFAOYSA-N
MW226.19 g/mol
LogP-0.98
Rot. Bonds3

About [2-(methylcarbamoylamino)-2-oxoethyl] 1H-pyrazole-5-carboxylate

[2-(methylcarbamoylamino)-2-oxoethyl] 1H-pyrazole-5-carboxylate (PubChem CID 46428902) has the molecular formula C8H10N4O4 and a molecular weight of 226.19 g/mol. Its IUPAC name is [2-(methylcarbamoylamino)-2-oxoethyl] 1H-pyrazole-5-carboxylate.

Molecular Properties

Compound Name[2-(methylcarbamoylamino)-2-oxoethyl] 1H-pyrazole-5-carboxylate
PubChem CID46428902
Molecular FormulaC8H10N4O4
Molecular Weight226.19 g/mol
Exact Mass226.07
IUPAC Name[2-(methylcarbamoylamino)-2-oxoethyl] 1H-pyrazole-5-carboxylate
SMILESCNC(=O)NC(=O)COC(=O)c1ccn[nH]1
InChIInChI=1S/C8H10N4O4/c1-9-8(15)11-6(13)4-16-7(14)5-2-3-10-12-5/h2-3H,4H2,1H3,(H,10,12)(H2,9,11,13,15)
InChIKeyWSDDZAXLINJKSX-UHFFFAOYSA-N
XLogP-0.98
TPSA113.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.19
LogP ≤ 5-0.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(methylcarbamoylamino)-2-oxoethyl] 4-fluorobenzoate
CID 2627763
[2-(2-iodoanilino)-2-oxoethyl] 1H-pyrazole-5-carboxylate
CID 55646238
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 1H-pyrazole-5-carboxylate
CID 46428827
[2-(methylcarbamoylamino)-2-oxoethyl] 3-aminopyrazine-2-carboxylate
CID 2642796
[2-(methylcarbamoylamino)-2-oxoethyl] 6-chloropyridine-3-carboxylate
CID 2628770
[2-(methylcarbamoylamino)-2-oxoethyl] 4-bromobenzoate
CID 2625657
[2-(methylcarbamoylamino)-2-oxoethyl] 6-methylpyridine-3-carboxylate
CID 30344335
[2-oxo-2-(2-phenoxyanilino)ethyl] 1H-pyrazole-5-carboxylate
CID 46428948
[2-(methylcarbamoylamino)-2-oxoethyl] 4,6-dimethyl-1H-indole-2-carboxylate
CID 43036133
[2-(methylcarbamoylamino)-2-oxoethyl] 2-iodobenzoate
CID 2509553
[2-(methylcarbamoylamino)-2-oxoethyl] 2-methylsulfonylbenzoate
CID 7724769
[2-(methylcarbamoylamino)-2-oxoethyl] 9,10-dioxoanthracene-1-carboxylate
CID 4833186

Frequently Asked Questions

What is the IUPAC name of [2-(methylcarbamoylamino)-2-oxoethyl] 1H-pyrazole-5-carboxylate?
The IUPAC name of [2-(methylcarbamoylamino)-2-oxoethyl] 1H-pyrazole-5-carboxylate (CID 46428902) is [2-(methylcarbamoylamino)-2-oxoethyl] 1H-pyrazole-5-carboxylate.
What is the SMILES notation for [2-(methylcarbamoylamino)-2-oxoethyl] 1H-pyrazole-5-carboxylate?
The canonical SMILES for [2-(methylcarbamoylamino)-2-oxoethyl] 1H-pyrazole-5-carboxylate is CNC(=O)NC(=O)COC(=O)c1ccn[nH]1.
What is the InChIKey of [2-(methylcarbamoylamino)-2-oxoethyl] 1H-pyrazole-5-carboxylate?
The InChIKey is WSDDZAXLINJKSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O4/c1-9-8(15)11-6(13)4-16-7(14)5-2-3-10-12-5/h2-3H,4H2,1H3,(H,10,12)(H2,9,11,13,15).
What are the key properties of [2-(methylcarbamoylamino)-2-oxoethyl] 1H-pyrazole-5-carboxylate?
[2-(methylcarbamoylamino)-2-oxoethyl] 1H-pyrazole-5-carboxylate has a molecular weight of 226.19 g/mol, XLogP of -0.98, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylcarbamoylamino)-2-oxoethyl] 1H-pyrazole-5-carboxylate is sourced from PubChem (CID 46428902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).