[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3-cyclopropyl-1-phenylpyrazole-5-carboxylate

C19H20N4O4 — CID 8998844

IUPAC[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3-cyclopropyl-1-phenylpyrazole-5-carboxylate
SMILESC[C@@H](OC(=O)c1cc(C2CC2)nn1-c1ccccc1)C(=O)N1CCNC1=O
InChIInChI=1S/C19H20N4O4/c1-12(17(24)22-10-9-20-19(22)26)27-18(25)16-11-15(13-7-8-13)21-23(16)14-5-3-2-4-6-14/h2-6,11-13H,7-10H2,1H3,(H,20,26)/t12-/m1/s1
InChIKeyFYFXWSDWTUJSMX-GFCCVEGCSA-N
MW368.39 g/mol
LogP1.85
Rot. Bonds5

About [(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3-cyclopropyl-1-phenylpyrazole-5-carboxylate

[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3-cyclopropyl-1-phenylpyrazole-5-carboxylate (PubChem CID 8998844) has the molecular formula C19H20N4O4 and a molecular weight of 368.39 g/mol. Its IUPAC name is [(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3-cyclopropyl-1-phenylpyrazole-5-carboxylate.

Molecular Properties

Compound Name[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3-cyclopropyl-1-phenylpyrazole-5-carboxylate
PubChem CID8998844
Molecular FormulaC19H20N4O4
Molecular Weight368.39 g/mol
Exact Mass368.15
IUPAC Name[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3-cyclopropyl-1-phenylpyrazole-5-carboxylate
SMILESC[C@@H](OC(=O)c1cc(C2CC2)nn1-c1ccccc1)C(=O)N1CCNC1=O
InChIInChI=1S/C19H20N4O4/c1-12(17(24)22-10-9-20-19(22)26)27-18(25)16-11-15(13-7-8-13)21-23(16)14-5-3-2-4-6-14/h2-6,11-13H,7-10H2,1H3,(H,20,26)/t12-/m1/s1
InChIKeyFYFXWSDWTUJSMX-GFCCVEGCSA-N
XLogP1.85
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3-cyclopropyl-1-phenylpyrazole-5-carboxylate?
The IUPAC name of [(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3-cyclopropyl-1-phenylpyrazole-5-carboxylate (CID 8998844) is [(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3-cyclopropyl-1-phenylpyrazole-5-carboxylate.
What is the SMILES notation for [(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3-cyclopropyl-1-phenylpyrazole-5-carboxylate?
The canonical SMILES for [(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3-cyclopropyl-1-phenylpyrazole-5-carboxylate is C[C@@H](OC(=O)c1cc(C2CC2)nn1-c1ccccc1)C(=O)N1CCNC1=O.
What is the InChIKey of [(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3-cyclopropyl-1-phenylpyrazole-5-carboxylate?
The InChIKey is FYFXWSDWTUJSMX-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H20N4O4/c1-12(17(24)22-10-9-20-19(22)26)27-18(25)16-11-15(13-7-8-13)21-23(16)14-5-3-2-4-6-14/h2-6,11-13H,7-10H2,1H3,(H,20,26)/t12-/m1/s1.
What are the key properties of [(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3-cyclopropyl-1-phenylpyrazole-5-carboxylate?
[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3-cyclopropyl-1-phenylpyrazole-5-carboxylate has a molecular weight of 368.39 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3-cyclopropyl-1-phenylpyrazole-5-carboxylate is sourced from PubChem (CID 8998844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).