2-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-1-morpholin-4-ylethanone

C14H22N4O2 — CID 56801201

IUPAC2-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-1-morpholin-4-ylethanone
SMILESCn1cc(C2CCCN2CC(=O)N2CCOCC2)cn1
InChIInChI=1S/C14H22N4O2/c1-16-10-12(9-15-16)13-3-2-4-18(13)11-14(19)17-5-7-20-8-6-17/h9-10,13H,2-8,11H2,1H3
InChIKeyYDJSBHJQLUBTLH-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.42
Rot. Bonds3

About 2-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-1-morpholin-4-ylethanone

2-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-1-morpholin-4-ylethanone (PubChem CID 56801201) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-1-morpholin-4-ylethanone
PubChem CID56801201
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name2-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-1-morpholin-4-ylethanone
SMILESCn1cc(C2CCCN2CC(=O)N2CCOCC2)cn1
InChIInChI=1S/C14H22N4O2/c1-16-10-12(9-15-16)13-3-2-4-18(13)11-14(19)17-5-7-20-8-6-17/h9-10,13H,2-8,11H2,1H3
InChIKeyYDJSBHJQLUBTLH-UHFFFAOYSA-N
XLogP0.42
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-1-morpholin-4-ylethanone (CID 56801201) is 2-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-1-morpholin-4-ylethanone is Cn1cc(C2CCCN2CC(=O)N2CCOCC2)cn1.
What is the InChIKey of 2-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-1-morpholin-4-ylethanone?
The InChIKey is YDJSBHJQLUBTLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-16-10-12(9-15-16)13-3-2-4-18(13)11-14(19)17-5-7-20-8-6-17/h9-10,13H,2-8,11H2,1H3.
What are the key properties of 2-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-1-morpholin-4-ylethanone?
2-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-1-morpholin-4-ylethanone has a molecular weight of 278.36 g/mol, XLogP of 0.42, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 56801201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).