1-[2-[[(2S,3R)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]amino]ethyl]imidazolidin-2-one

C15H25N5O2 — CID 136586038

IUPAC1-[2-[[(2S,3R)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]amino]ethyl]imidazolidin-2-one
SMILESCc1nn(C)c(C)c1[C@@H]1OCC[C@H]1NCCN1CCNC1=O
InChIInChI=1S/C15H25N5O2/c1-10-13(11(2)19(3)18-10)14-12(4-9-22-14)16-5-7-20-8-6-17-15(20)21/h12,14,16H,4-9H2,1-3H3,(H,17,21)/t12-,14-/m1/s1
InChIKeyQZWABPMIYLBNCD-TZMCWYRMSA-N
MW307.40 g/mol
LogP0.48
Rot. Bonds5

About 1-[2-[[(2S,3R)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]amino]ethyl]imidazolidin-2-one

1-[2-[[(2S,3R)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]amino]ethyl]imidazolidin-2-one (PubChem CID 136586038) has the molecular formula C15H25N5O2 and a molecular weight of 307.40 g/mol. Its IUPAC name is 1-[2-[[(2S,3R)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]amino]ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[[(2S,3R)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]amino]ethyl]imidazolidin-2-one
PubChem CID136586038
Molecular FormulaC15H25N5O2
Molecular Weight307.40 g/mol
Exact Mass307.20
IUPAC Name1-[2-[[(2S,3R)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]amino]ethyl]imidazolidin-2-one
SMILESCc1nn(C)c(C)c1[C@@H]1OCC[C@H]1NCCN1CCNC1=O
InChIInChI=1S/C15H25N5O2/c1-10-13(11(2)19(3)18-10)14-12(4-9-22-14)16-5-7-20-8-6-17-15(20)21/h12,14,16H,4-9H2,1-3H3,(H,17,21)/t12-,14-/m1/s1
InChIKeyQZWABPMIYLBNCD-TZMCWYRMSA-N
XLogP0.48
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[[(2S,3R)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]amino]ethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[[(2S,3R)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]amino]ethyl]imidazolidin-2-one (CID 136586038) is 1-[2-[[(2S,3R)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]amino]ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[[(2S,3R)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]amino]ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[[(2S,3R)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]amino]ethyl]imidazolidin-2-one is Cc1nn(C)c(C)c1[C@@H]1OCC[C@H]1NCCN1CCNC1=O.
What is the InChIKey of 1-[2-[[(2S,3R)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]amino]ethyl]imidazolidin-2-one?
The InChIKey is QZWABPMIYLBNCD-TZMCWYRMSA-N. The full InChI is InChI=1S/C15H25N5O2/c1-10-13(11(2)19(3)18-10)14-12(4-9-22-14)16-5-7-20-8-6-17-15(20)21/h12,14,16H,4-9H2,1-3H3,(H,17,21)/t12-,14-/m1/s1.
What are the key properties of 1-[2-[[(2S,3R)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]amino]ethyl]imidazolidin-2-one?
1-[2-[[(2S,3R)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]amino]ethyl]imidazolidin-2-one has a molecular weight of 307.40 g/mol, XLogP of 0.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[(2S,3R)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]amino]ethyl]imidazolidin-2-one is sourced from PubChem (CID 136586038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).