[(3S)-3-methylmorpholin-4-yl]-(1-propan-2-ylpyrazol-3-yl)methanone

C12H19N3O2 — CID 122151807

IUPAC[(3S)-3-methylmorpholin-4-yl]-(1-propan-2-ylpyrazol-3-yl)methanone
SMILESCC(C)n1ccc(C(=O)N2CCOC[C@@H]2C)n1
InChIInChI=1S/C12H19N3O2/c1-9(2)15-5-4-11(13-15)12(16)14-6-7-17-8-10(14)3/h4-5,9-10H,6-8H2,1-3H3/t10-/m0/s1
InChIKeyQPMMDHATMYDHRA-JTQLQIEISA-N
MW237.30 g/mol
LogP1.32
Rot. Bonds2

About [(3S)-3-methylmorpholin-4-yl]-(1-propan-2-ylpyrazol-3-yl)methanone

[(3S)-3-methylmorpholin-4-yl]-(1-propan-2-ylpyrazol-3-yl)methanone (PubChem CID 122151807) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is [(3S)-3-methylmorpholin-4-yl]-(1-propan-2-ylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-methylmorpholin-4-yl]-(1-propan-2-ylpyrazol-3-yl)methanone
PubChem CID122151807
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name[(3S)-3-methylmorpholin-4-yl]-(1-propan-2-ylpyrazol-3-yl)methanone
SMILESCC(C)n1ccc(C(=O)N2CCOC[C@@H]2C)n1
InChIInChI=1S/C12H19N3O2/c1-9(2)15-5-4-11(13-15)12(16)14-6-7-17-8-10(14)3/h4-5,9-10H,6-8H2,1-3H3/t10-/m0/s1
InChIKeyQPMMDHATMYDHRA-JTQLQIEISA-N
XLogP1.32
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(3S)-3-methylmorpholin-4-yl]-(1-propan-2-ylpyrazol-3-yl)methanone?
The IUPAC name of [(3S)-3-methylmorpholin-4-yl]-(1-propan-2-ylpyrazol-3-yl)methanone (CID 122151807) is [(3S)-3-methylmorpholin-4-yl]-(1-propan-2-ylpyrazol-3-yl)methanone.
What is the SMILES notation for [(3S)-3-methylmorpholin-4-yl]-(1-propan-2-ylpyrazol-3-yl)methanone?
The canonical SMILES for [(3S)-3-methylmorpholin-4-yl]-(1-propan-2-ylpyrazol-3-yl)methanone is CC(C)n1ccc(C(=O)N2CCOC[C@@H]2C)n1.
What is the InChIKey of [(3S)-3-methylmorpholin-4-yl]-(1-propan-2-ylpyrazol-3-yl)methanone?
The InChIKey is QPMMDHATMYDHRA-JTQLQIEISA-N. The full InChI is InChI=1S/C12H19N3O2/c1-9(2)15-5-4-11(13-15)12(16)14-6-7-17-8-10(14)3/h4-5,9-10H,6-8H2,1-3H3/t10-/m0/s1.
What are the key properties of [(3S)-3-methylmorpholin-4-yl]-(1-propan-2-ylpyrazol-3-yl)methanone?
[(3S)-3-methylmorpholin-4-yl]-(1-propan-2-ylpyrazol-3-yl)methanone has a molecular weight of 237.30 g/mol, XLogP of 1.32, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-methylmorpholin-4-yl]-(1-propan-2-ylpyrazol-3-yl)methanone is sourced from PubChem (CID 122151807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).