[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 4-methoxy-1-phenylpyrazole-3-carboxylate

C19H18N4O6 — CID 7992218

IUPAC[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 4-methoxy-1-phenylpyrazole-3-carboxylate
SMILESCOc1cn(-c2ccccc2)nc1C(=O)OCC(=O)NC(=O)NCc1ccco1
InChIInChI=1S/C19H18N4O6/c1-27-15-11-23(13-6-3-2-4-7-13)22-17(15)18(25)29-12-16(24)21-19(26)20-10-14-8-5-9-28-14/h2-9,11H,10,12H2,1H3,(H2,20,21,24,26)
InChIKeyZTDDMRGBZJOSOV-UHFFFAOYSA-N
MW398.38 g/mol
LogP1.66
Rot. Bonds7

About [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 4-methoxy-1-phenylpyrazole-3-carboxylate

[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 4-methoxy-1-phenylpyrazole-3-carboxylate (PubChem CID 7992218) has the molecular formula C19H18N4O6 and a molecular weight of 398.38 g/mol. Its IUPAC name is [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 4-methoxy-1-phenylpyrazole-3-carboxylate.

Molecular Properties

Compound Name[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 4-methoxy-1-phenylpyrazole-3-carboxylate
PubChem CID7992218
Molecular FormulaC19H18N4O6
Molecular Weight398.38 g/mol
Exact Mass398.12
IUPAC Name[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 4-methoxy-1-phenylpyrazole-3-carboxylate
SMILESCOc1cn(-c2ccccc2)nc1C(=O)OCC(=O)NC(=O)NCc1ccco1
InChIInChI=1S/C19H18N4O6/c1-27-15-11-23(13-6-3-2-4-7-13)22-17(15)18(25)29-12-16(24)21-19(26)20-10-14-8-5-9-28-14/h2-9,11H,10,12H2,1H3,(H2,20,21,24,26)
InChIKeyZTDDMRGBZJOSOV-UHFFFAOYSA-N
XLogP1.66
TPSA124.69 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.38
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

[2-(tert-butylcarbamoylamino)-2-oxoethyl] 4-methoxy-1-phenylpyrazole-3-carboxylate
CID 7523472
4-O-[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 9116888
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 4-methoxy-1-phenylpyrazole-3-carboxylate
CID 7991975
phenacyl 4-methoxy-1-phenylpyrazole-3-carboxylate
CID 7992049
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] furan-2-carboxylate
CID 2631632
[2-(2-fluoroanilino)-2-oxoethyl] 4-methoxy-1-phenylpyrazole-3-carboxylate
CID 7523396
[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 4-methoxy-1-phenylpyrazole-3-carboxylate
CID 7992134
[2-(2-methoxycarbonylanilino)-2-oxoethyl] 4-methoxy-1-phenylpyrazole-3-carboxylate
CID 7523394
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 3,6-dichloropyridine-2-carboxylate
CID 2485105
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 3-methoxy-4-(2-methylpropoxy)benzoate
CID 7194553
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 4-methoxy-1-phenylpyrazole-3-carboxylate
CID 7523391
[2-(4-carbamoylanilino)-2-oxoethyl] 4-methoxy-1-phenylpyrazole-3-carboxylate
CID 7523382

Frequently Asked Questions

What is the IUPAC name of [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 4-methoxy-1-phenylpyrazole-3-carboxylate?
The IUPAC name of [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 4-methoxy-1-phenylpyrazole-3-carboxylate (CID 7992218) is [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 4-methoxy-1-phenylpyrazole-3-carboxylate.
What is the SMILES notation for [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 4-methoxy-1-phenylpyrazole-3-carboxylate?
The canonical SMILES for [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 4-methoxy-1-phenylpyrazole-3-carboxylate is COc1cn(-c2ccccc2)nc1C(=O)OCC(=O)NC(=O)NCc1ccco1.
What is the InChIKey of [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 4-methoxy-1-phenylpyrazole-3-carboxylate?
The InChIKey is ZTDDMRGBZJOSOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O6/c1-27-15-11-23(13-6-3-2-4-7-13)22-17(15)18(25)29-12-16(24)21-19(26)20-10-14-8-5-9-28-14/h2-9,11H,10,12H2,1H3,(H2,20,21,24,26).
What are the key properties of [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 4-methoxy-1-phenylpyrazole-3-carboxylate?
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 4-methoxy-1-phenylpyrazole-3-carboxylate has a molecular weight of 398.38 g/mol, XLogP of 1.66, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 4-methoxy-1-phenylpyrazole-3-carboxylate is sourced from PubChem (CID 7992218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).