4-[2-(3-cyclopropyl-5-ethylpyrazol-1-yl)ethyl]morpholine

C14H23N3O — CID 71019550

IUPAC4-[2-(3-cyclopropyl-5-ethylpyrazol-1-yl)ethyl]morpholine
SMILESCCc1cc(C2CC2)nn1CCN1CCOCC1
InChIInChI=1S/C14H23N3O/c1-2-13-11-14(12-3-4-12)15-17(13)6-5-16-7-9-18-10-8-16/h11-12H,2-10H2,1H3
InChIKeyPRNYFTHCOYJBGE-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.66
Rot. Bonds5

About 4-[2-(3-cyclopropyl-5-ethylpyrazol-1-yl)ethyl]morpholine

4-[2-(3-cyclopropyl-5-ethylpyrazol-1-yl)ethyl]morpholine (PubChem CID 71019550) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 4-[2-(3-cyclopropyl-5-ethylpyrazol-1-yl)ethyl]morpholine.

Molecular Properties

Compound Name4-[2-(3-cyclopropyl-5-ethylpyrazol-1-yl)ethyl]morpholine
PubChem CID71019550
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name4-[2-(3-cyclopropyl-5-ethylpyrazol-1-yl)ethyl]morpholine
SMILESCCc1cc(C2CC2)nn1CCN1CCOCC1
InChIInChI=1S/C14H23N3O/c1-2-13-11-14(12-3-4-12)15-17(13)6-5-16-7-9-18-10-8-16/h11-12H,2-10H2,1H3
InChIKeyPRNYFTHCOYJBGE-UHFFFAOYSA-N
XLogP1.66
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-cyclopropyl-5-ethylpyrazol-1-yl)ethyl]morpholine?
The IUPAC name of 4-[2-(3-cyclopropyl-5-ethylpyrazol-1-yl)ethyl]morpholine (CID 71019550) is 4-[2-(3-cyclopropyl-5-ethylpyrazol-1-yl)ethyl]morpholine.
What is the SMILES notation for 4-[2-(3-cyclopropyl-5-ethylpyrazol-1-yl)ethyl]morpholine?
The canonical SMILES for 4-[2-(3-cyclopropyl-5-ethylpyrazol-1-yl)ethyl]morpholine is CCc1cc(C2CC2)nn1CCN1CCOCC1.
What is the InChIKey of 4-[2-(3-cyclopropyl-5-ethylpyrazol-1-yl)ethyl]morpholine?
The InChIKey is PRNYFTHCOYJBGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-2-13-11-14(12-3-4-12)15-17(13)6-5-16-7-9-18-10-8-16/h11-12H,2-10H2,1H3.
What are the key properties of 4-[2-(3-cyclopropyl-5-ethylpyrazol-1-yl)ethyl]morpholine?
4-[2-(3-cyclopropyl-5-ethylpyrazol-1-yl)ethyl]morpholine has a molecular weight of 249.36 g/mol, XLogP of 1.66, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-cyclopropyl-5-ethylpyrazol-1-yl)ethyl]morpholine is sourced from PubChem (CID 71019550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).