[5-(furan-2-yl)-1H-pyrazol-3-yl]-morpholin-4-ylmethanone

C12H13N3O3 — CID 35554692

IUPAC[5-(furan-2-yl)-1H-pyrazol-3-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cc(-c2ccco2)[nH]n1)N1CCOCC1
InChIInChI=1S/C12H13N3O3/c16-12(15-3-6-17-7-4-15)10-8-9(13-14-10)11-2-1-5-18-11/h1-2,5,8H,3-4,6-7H2,(H,13,14)
InChIKeyIJYSNMCWTJHNSR-UHFFFAOYSA-N
MW247.25 g/mol
LogP1.14
Rot. Bonds2

About [5-(furan-2-yl)-1H-pyrazol-3-yl]-morpholin-4-ylmethanone

[5-(furan-2-yl)-1H-pyrazol-3-yl]-morpholin-4-ylmethanone (PubChem CID 35554692) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is [5-(furan-2-yl)-1H-pyrazol-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[5-(furan-2-yl)-1H-pyrazol-3-yl]-morpholin-4-ylmethanone
PubChem CID35554692
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC Name[5-(furan-2-yl)-1H-pyrazol-3-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cc(-c2ccco2)[nH]n1)N1CCOCC1
InChIInChI=1S/C12H13N3O3/c16-12(15-3-6-17-7-4-15)10-8-9(13-14-10)11-2-1-5-18-11/h1-2,5,8H,3-4,6-7H2,(H,13,14)
InChIKeyIJYSNMCWTJHNSR-UHFFFAOYSA-N
XLogP1.14
TPSA71.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(furan-2-yl)-1H-pyrazol-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [5-(furan-2-yl)-1H-pyrazol-3-yl]-morpholin-4-ylmethanone (CID 35554692) is [5-(furan-2-yl)-1H-pyrazol-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [5-(furan-2-yl)-1H-pyrazol-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [5-(furan-2-yl)-1H-pyrazol-3-yl]-morpholin-4-ylmethanone is O=C(c1cc(-c2ccco2)[nH]n1)N1CCOCC1.
What is the InChIKey of [5-(furan-2-yl)-1H-pyrazol-3-yl]-morpholin-4-ylmethanone?
The InChIKey is IJYSNMCWTJHNSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3/c16-12(15-3-6-17-7-4-15)10-8-9(13-14-10)11-2-1-5-18-11/h1-2,5,8H,3-4,6-7H2,(H,13,14).
What are the key properties of [5-(furan-2-yl)-1H-pyrazol-3-yl]-morpholin-4-ylmethanone?
[5-(furan-2-yl)-1H-pyrazol-3-yl]-morpholin-4-ylmethanone has a molecular weight of 247.25 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(furan-2-yl)-1H-pyrazol-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 35554692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).