[(2R)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] pyrazine-2-carboxylate

C14H17N5O3 — CID 7985439

IUPAC[(2R)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] pyrazine-2-carboxylate
SMILESCC(C)n1nccc1NC(=O)[C@@H](C)OC(=O)c1cnccn1
InChIInChI=1S/C14H17N5O3/c1-9(2)19-12(4-5-17-19)18-13(20)10(3)22-14(21)11-8-15-6-7-16-11/h4-10H,1-3H3,(H,18,20)/t10-/m1/s1
InChIKeyFQIRGEZDLBNBNF-SNVBAGLBSA-N
MW303.32 g/mol
LogP1.44
Rot. Bonds5

About [(2R)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] pyrazine-2-carboxylate

[(2R)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] pyrazine-2-carboxylate (PubChem CID 7985439) has the molecular formula C14H17N5O3 and a molecular weight of 303.32 g/mol. Its IUPAC name is [(2R)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] pyrazine-2-carboxylate.

Molecular Properties

Compound Name[(2R)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] pyrazine-2-carboxylate
PubChem CID7985439
Molecular FormulaC14H17N5O3
Molecular Weight303.32 g/mol
Exact Mass303.13
IUPAC Name[(2R)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] pyrazine-2-carboxylate
SMILESCC(C)n1nccc1NC(=O)[C@@H](C)OC(=O)c1cnccn1
InChIInChI=1S/C14H17N5O3/c1-9(2)19-12(4-5-17-19)18-13(20)10(3)22-14(21)11-8-15-6-7-16-11/h4-10H,1-3H3,(H,18,20)/t10-/m1/s1
InChIKeyFQIRGEZDLBNBNF-SNVBAGLBSA-N
XLogP1.44
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [(2R)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] pyrazine-2-carboxylate with MolForge

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Related Compounds

[(2S)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] quinoline-2-carboxylate
CID 7812486
[(2S)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 2-chlorobenzoate
CID 7775497
[(2R)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 2-chlorobenzoate
CID 7775496
[(2R)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 4-methylsulfanylbenzoate
CID 8507281
[(2S)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 4-methylsulfanylbenzoate
CID 8507283
[(2R)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 4-phenoxybenzoate
CID 7838028
[(2R)-1-oxo-1-(2-phenylanilino)propan-2-yl] pyrazine-2-carboxylate
CID 7985625
[(2R)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 4-benzoylbenzoate
CID 7203676
[1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 3-methylthiophene-2-carboxylate
CID 47004079
[(2R)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 3,4-diethoxybenzoate
CID 8708029
[(2S)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] pyrazine-2-carboxylate
CID 7259407
[(2S)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] pyrazine-2-carboxylate
CID 7985748

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] pyrazine-2-carboxylate?
The IUPAC name of [(2R)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] pyrazine-2-carboxylate (CID 7985439) is [(2R)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] pyrazine-2-carboxylate.
What is the SMILES notation for [(2R)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] pyrazine-2-carboxylate?
The canonical SMILES for [(2R)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] pyrazine-2-carboxylate is CC(C)n1nccc1NC(=O)[C@@H](C)OC(=O)c1cnccn1.
What is the InChIKey of [(2R)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] pyrazine-2-carboxylate?
The InChIKey is FQIRGEZDLBNBNF-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H17N5O3/c1-9(2)19-12(4-5-17-19)18-13(20)10(3)22-14(21)11-8-15-6-7-16-11/h4-10H,1-3H3,(H,18,20)/t10-/m1/s1.
What are the key properties of [(2R)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] pyrazine-2-carboxylate?
[(2R)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] pyrazine-2-carboxylate has a molecular weight of 303.32 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] pyrazine-2-carboxylate is sourced from PubChem (CID 7985439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).