[5-(1-methylpyrazol-4-yl)furan-2-yl]-morpholin-4-ylmethanone

C13H15N3O3 — CID 39826418

IUPAC[5-(1-methylpyrazol-4-yl)furan-2-yl]-morpholin-4-ylmethanone
SMILESCn1cc(-c2ccc(C(=O)N3CCOCC3)o2)cn1
InChIInChI=1S/C13H15N3O3/c1-15-9-10(8-14-15)11-2-3-12(19-11)13(17)16-4-6-18-7-5-16/h2-3,8-9H,4-7H2,1H3
InChIKeyOSTWCVPQXSCNJZ-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.15
Rot. Bonds2

About [5-(1-methylpyrazol-4-yl)furan-2-yl]-morpholin-4-ylmethanone

[5-(1-methylpyrazol-4-yl)furan-2-yl]-morpholin-4-ylmethanone (PubChem CID 39826418) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is [5-(1-methylpyrazol-4-yl)furan-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[5-(1-methylpyrazol-4-yl)furan-2-yl]-morpholin-4-ylmethanone
PubChem CID39826418
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name[5-(1-methylpyrazol-4-yl)furan-2-yl]-morpholin-4-ylmethanone
SMILESCn1cc(-c2ccc(C(=O)N3CCOCC3)o2)cn1
InChIInChI=1S/C13H15N3O3/c1-15-9-10(8-14-15)11-2-3-12(19-11)13(17)16-4-6-18-7-5-16/h2-3,8-9H,4-7H2,1H3
InChIKeyOSTWCVPQXSCNJZ-UHFFFAOYSA-N
XLogP1.15
TPSA60.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(1-methylpyrazol-4-yl)furan-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [5-(1-methylpyrazol-4-yl)furan-2-yl]-morpholin-4-ylmethanone (CID 39826418) is [5-(1-methylpyrazol-4-yl)furan-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [5-(1-methylpyrazol-4-yl)furan-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [5-(1-methylpyrazol-4-yl)furan-2-yl]-morpholin-4-ylmethanone is Cn1cc(-c2ccc(C(=O)N3CCOCC3)o2)cn1.
What is the InChIKey of [5-(1-methylpyrazol-4-yl)furan-2-yl]-morpholin-4-ylmethanone?
The InChIKey is OSTWCVPQXSCNJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-15-9-10(8-14-15)11-2-3-12(19-11)13(17)16-4-6-18-7-5-16/h2-3,8-9H,4-7H2,1H3.
What are the key properties of [5-(1-methylpyrazol-4-yl)furan-2-yl]-morpholin-4-ylmethanone?
[5-(1-methylpyrazol-4-yl)furan-2-yl]-morpholin-4-ylmethanone has a molecular weight of 261.28 g/mol, XLogP of 1.15, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1-methylpyrazol-4-yl)furan-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 39826418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).