[(2S)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] cyclopropanecarboxylate

C13H19N3O3 — CID 2449998

IUPAC[(2S)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] cyclopropanecarboxylate
SMILESCC(C)n1nccc1NC(=O)[C@H](C)OC(=O)C1CC1
InChIInChI=1S/C13H19N3O3/c1-8(2)16-11(6-7-14-16)15-12(17)9(3)19-13(18)10-4-5-10/h6-10H,4-5H2,1-3H3,(H,15,17)/t9-/m0/s1
InChIKeySFUPNGPMQUIXAQ-VIFPVBQESA-N
MW265.31 g/mol
LogP1.74
Rot. Bonds5

About [(2S)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] cyclopropanecarboxylate

[(2S)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] cyclopropanecarboxylate (PubChem CID 2449998) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is [(2S)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] cyclopropanecarboxylate.

Molecular Properties

Compound Name[(2S)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] cyclopropanecarboxylate
PubChem CID2449998
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name[(2S)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] cyclopropanecarboxylate
SMILESCC(C)n1nccc1NC(=O)[C@H](C)OC(=O)C1CC1
InChIInChI=1S/C13H19N3O3/c1-8(2)16-11(6-7-14-16)15-12(17)9(3)19-13(18)10-4-5-10/h6-10H,4-5H2,1-3H3,(H,15,17)/t9-/m0/s1
InChIKeySFUPNGPMQUIXAQ-VIFPVBQESA-N
XLogP1.74
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(2S)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] cyclopropanecarboxylate?
The IUPAC name of [(2S)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] cyclopropanecarboxylate (CID 2449998) is [(2S)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] cyclopropanecarboxylate.
What is the SMILES notation for [(2S)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] cyclopropanecarboxylate?
The canonical SMILES for [(2S)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] cyclopropanecarboxylate is CC(C)n1nccc1NC(=O)[C@H](C)OC(=O)C1CC1.
What is the InChIKey of [(2S)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] cyclopropanecarboxylate?
The InChIKey is SFUPNGPMQUIXAQ-VIFPVBQESA-N. The full InChI is InChI=1S/C13H19N3O3/c1-8(2)16-11(6-7-14-16)15-12(17)9(3)19-13(18)10-4-5-10/h6-10H,4-5H2,1-3H3,(H,15,17)/t9-/m0/s1.
What are the key properties of [(2S)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] cyclopropanecarboxylate?
[(2S)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] cyclopropanecarboxylate has a molecular weight of 265.31 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] cyclopropanecarboxylate is sourced from PubChem (CID 2449998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).