[(3S)-3-ethylmorpholin-4-yl]-(2-propylpyrazol-3-yl)methanone

C13H21N3O2 — CID 70775948

IUPAC[(3S)-3-ethylmorpholin-4-yl]-(2-propylpyrazol-3-yl)methanone
SMILESCCCn1nccc1C(=O)N1CCOC[C@@H]1CC
InChIInChI=1S/C13H21N3O2/c1-3-7-16-12(5-6-14-16)13(17)15-8-9-18-10-11(15)4-2/h5-6,11H,3-4,7-10H2,1-2H3/t11-/m0/s1
InChIKeyPDWGKMKNSLEXNT-NSHDSACASA-N
MW251.33 g/mol
LogP1.54
Rot. Bonds4

About [(3S)-3-ethylmorpholin-4-yl]-(2-propylpyrazol-3-yl)methanone

[(3S)-3-ethylmorpholin-4-yl]-(2-propylpyrazol-3-yl)methanone (PubChem CID 70775948) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is [(3S)-3-ethylmorpholin-4-yl]-(2-propylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-ethylmorpholin-4-yl]-(2-propylpyrazol-3-yl)methanone
PubChem CID70775948
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name[(3S)-3-ethylmorpholin-4-yl]-(2-propylpyrazol-3-yl)methanone
SMILESCCCn1nccc1C(=O)N1CCOC[C@@H]1CC
InChIInChI=1S/C13H21N3O2/c1-3-7-16-12(5-6-14-16)13(17)15-8-9-18-10-11(15)4-2/h5-6,11H,3-4,7-10H2,1-2H3/t11-/m0/s1
InChIKeyPDWGKMKNSLEXNT-NSHDSACASA-N
XLogP1.54
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(3S)-3-ethylmorpholin-4-yl]-(2-propylpyrazol-3-yl)methanone?
The IUPAC name of [(3S)-3-ethylmorpholin-4-yl]-(2-propylpyrazol-3-yl)methanone (CID 70775948) is [(3S)-3-ethylmorpholin-4-yl]-(2-propylpyrazol-3-yl)methanone.
What is the SMILES notation for [(3S)-3-ethylmorpholin-4-yl]-(2-propylpyrazol-3-yl)methanone?
The canonical SMILES for [(3S)-3-ethylmorpholin-4-yl]-(2-propylpyrazol-3-yl)methanone is CCCn1nccc1C(=O)N1CCOC[C@@H]1CC.
What is the InChIKey of [(3S)-3-ethylmorpholin-4-yl]-(2-propylpyrazol-3-yl)methanone?
The InChIKey is PDWGKMKNSLEXNT-NSHDSACASA-N. The full InChI is InChI=1S/C13H21N3O2/c1-3-7-16-12(5-6-14-16)13(17)15-8-9-18-10-11(15)4-2/h5-6,11H,3-4,7-10H2,1-2H3/t11-/m0/s1.
What are the key properties of [(3S)-3-ethylmorpholin-4-yl]-(2-propylpyrazol-3-yl)methanone?
[(3S)-3-ethylmorpholin-4-yl]-(2-propylpyrazol-3-yl)methanone has a molecular weight of 251.33 g/mol, XLogP of 1.54, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-ethylmorpholin-4-yl]-(2-propylpyrazol-3-yl)methanone is sourced from PubChem (CID 70775948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).