[(2R,6S)-2,6-dimethylmorpholin-4-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone

C13H19N3O2 — CID 127758499

IUPAC[(2R,6S)-2,6-dimethylmorpholin-4-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
SMILESC[C@@H]1CN(C(=O)c2n[nH]c3c2CCC3)C[C@H](C)O1
InChIInChI=1S/C13H19N3O2/c1-8-6-16(7-9(2)18-8)13(17)12-10-4-3-5-11(10)14-15-12/h8-9H,3-7H2,1-2H3,(H,14,15)/t8-,9+
InChIKeyFHGCBZBCIKIWPT-DTORHVGOSA-N
MW249.31 g/mol
LogP1.15
Rot. Bonds1

About [(2R,6S)-2,6-dimethylmorpholin-4-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone

[(2R,6S)-2,6-dimethylmorpholin-4-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone (PubChem CID 127758499) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is [(2R,6S)-2,6-dimethylmorpholin-4-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone.

Molecular Properties

Compound Name[(2R,6S)-2,6-dimethylmorpholin-4-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
PubChem CID127758499
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name[(2R,6S)-2,6-dimethylmorpholin-4-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
SMILESC[C@@H]1CN(C(=O)c2n[nH]c3c2CCC3)C[C@H](C)O1
InChIInChI=1S/C13H19N3O2/c1-8-6-16(7-9(2)18-8)13(17)12-10-4-3-5-11(10)14-15-12/h8-9H,3-7H2,1-2H3,(H,14,15)/t8-,9+
InChIKeyFHGCBZBCIKIWPT-DTORHVGOSA-N
XLogP1.15
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2R,6S)-2,6-dimethylmorpholin-4-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone?
The IUPAC name of [(2R,6S)-2,6-dimethylmorpholin-4-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone (CID 127758499) is [(2R,6S)-2,6-dimethylmorpholin-4-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone.
What is the SMILES notation for [(2R,6S)-2,6-dimethylmorpholin-4-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone?
The canonical SMILES for [(2R,6S)-2,6-dimethylmorpholin-4-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone is C[C@@H]1CN(C(=O)c2n[nH]c3c2CCC3)C[C@H](C)O1.
What is the InChIKey of [(2R,6S)-2,6-dimethylmorpholin-4-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone?
The InChIKey is FHGCBZBCIKIWPT-DTORHVGOSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-8-6-16(7-9(2)18-8)13(17)12-10-4-3-5-11(10)14-15-12/h8-9H,3-7H2,1-2H3,(H,14,15)/t8-,9+.
What are the key properties of [(2R,6S)-2,6-dimethylmorpholin-4-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone?
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone has a molecular weight of 249.31 g/mol, XLogP of 1.15, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,6S)-2,6-dimethylmorpholin-4-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone is sourced from PubChem (CID 127758499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).