N-[(2S,3S)-2-(2-propan-2-ylpyrazol-3-yl)oxolan-3-yl]acetamide

C12H19N3O2 — CID 164634336

IUPACN-[(2S,3S)-2-(2-propan-2-ylpyrazol-3-yl)oxolan-3-yl]acetamide
SMILESCC(=O)N[C@H]1CCO[C@@H]1c1ccnn1C(C)C
InChIInChI=1S/C12H19N3O2/c1-8(2)15-11(4-6-13-15)12-10(5-7-17-12)14-9(3)16/h4,6,8,10,12H,5,7H2,1-3H3,(H,14,16)/t10-,12-/m0/s1
InChIKeyDQYICPOLKPWYBY-JQWIXIFHSA-N
MW237.30 g/mol
LogP1.43
Rot. Bonds3

About N-[(2S,3S)-2-(2-propan-2-ylpyrazol-3-yl)oxolan-3-yl]acetamide

N-[(2S,3S)-2-(2-propan-2-ylpyrazol-3-yl)oxolan-3-yl]acetamide (PubChem CID 164634336) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-[(2S,3S)-2-(2-propan-2-ylpyrazol-3-yl)oxolan-3-yl]acetamide.

Molecular Properties

Compound NameN-[(2S,3S)-2-(2-propan-2-ylpyrazol-3-yl)oxolan-3-yl]acetamide
PubChem CID164634336
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC NameN-[(2S,3S)-2-(2-propan-2-ylpyrazol-3-yl)oxolan-3-yl]acetamide
SMILESCC(=O)N[C@H]1CCO[C@@H]1c1ccnn1C(C)C
InChIInChI=1S/C12H19N3O2/c1-8(2)15-11(4-6-13-15)12-10(5-7-17-12)14-9(3)16/h4,6,8,10,12H,5,7H2,1-3H3,(H,14,16)/t10-,12-/m0/s1
InChIKeyDQYICPOLKPWYBY-JQWIXIFHSA-N
XLogP1.43
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2S,3S)-2-(2-propan-2-ylpyrazol-3-yl)oxolan-3-yl]acetamide?
The IUPAC name of N-[(2S,3S)-2-(2-propan-2-ylpyrazol-3-yl)oxolan-3-yl]acetamide (CID 164634336) is N-[(2S,3S)-2-(2-propan-2-ylpyrazol-3-yl)oxolan-3-yl]acetamide.
What is the SMILES notation for N-[(2S,3S)-2-(2-propan-2-ylpyrazol-3-yl)oxolan-3-yl]acetamide?
The canonical SMILES for N-[(2S,3S)-2-(2-propan-2-ylpyrazol-3-yl)oxolan-3-yl]acetamide is CC(=O)N[C@H]1CCO[C@@H]1c1ccnn1C(C)C.
What is the InChIKey of N-[(2S,3S)-2-(2-propan-2-ylpyrazol-3-yl)oxolan-3-yl]acetamide?
The InChIKey is DQYICPOLKPWYBY-JQWIXIFHSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-8(2)15-11(4-6-13-15)12-10(5-7-17-12)14-9(3)16/h4,6,8,10,12H,5,7H2,1-3H3,(H,14,16)/t10-,12-/m0/s1.
What are the key properties of N-[(2S,3S)-2-(2-propan-2-ylpyrazol-3-yl)oxolan-3-yl]acetamide?
N-[(2S,3S)-2-(2-propan-2-ylpyrazol-3-yl)oxolan-3-yl]acetamide has a molecular weight of 237.30 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3S)-2-(2-propan-2-ylpyrazol-3-yl)oxolan-3-yl]acetamide is sourced from PubChem (CID 164634336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).