1-[2-[4-(furan-3-yl)pyrazol-1-yl]ethyl]-3-(2-methoxyethyl)urea

C13H18N4O3 — CID 122244853

IUPAC1-[2-[4-(furan-3-yl)pyrazol-1-yl]ethyl]-3-(2-methoxyethyl)urea
SMILESCOCCNC(=O)NCCn1cc(-c2ccoc2)cn1
InChIInChI=1S/C13H18N4O3/c1-19-7-4-15-13(18)14-3-5-17-9-12(8-16-17)11-2-6-20-10-11/h2,6,8-10H,3-5,7H2,1H3,(H2,14,15,18)
InChIKeyALGYQLWDZPUKHC-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.09
Rot. Bonds7

About 1-[2-[4-(furan-3-yl)pyrazol-1-yl]ethyl]-3-(2-methoxyethyl)urea

1-[2-[4-(furan-3-yl)pyrazol-1-yl]ethyl]-3-(2-methoxyethyl)urea (PubChem CID 122244853) has the molecular formula C13H18N4O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is 1-[2-[4-(furan-3-yl)pyrazol-1-yl]ethyl]-3-(2-methoxyethyl)urea.

Molecular Properties

Compound Name1-[2-[4-(furan-3-yl)pyrazol-1-yl]ethyl]-3-(2-methoxyethyl)urea
PubChem CID122244853
Molecular FormulaC13H18N4O3
Molecular Weight278.31 g/mol
Exact Mass278.14
IUPAC Name1-[2-[4-(furan-3-yl)pyrazol-1-yl]ethyl]-3-(2-methoxyethyl)urea
SMILESCOCCNC(=O)NCCn1cc(-c2ccoc2)cn1
InChIInChI=1S/C13H18N4O3/c1-19-7-4-15-13(18)14-3-5-17-9-12(8-16-17)11-2-6-20-10-11/h2,6,8-10H,3-5,7H2,1H3,(H2,14,15,18)
InChIKeyALGYQLWDZPUKHC-UHFFFAOYSA-N
XLogP1.09
TPSA81.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(furan-3-yl)pyrazol-1-yl]ethyl]-3-(2-methoxyethyl)urea?
The IUPAC name of 1-[2-[4-(furan-3-yl)pyrazol-1-yl]ethyl]-3-(2-methoxyethyl)urea (CID 122244853) is 1-[2-[4-(furan-3-yl)pyrazol-1-yl]ethyl]-3-(2-methoxyethyl)urea.
What is the SMILES notation for 1-[2-[4-(furan-3-yl)pyrazol-1-yl]ethyl]-3-(2-methoxyethyl)urea?
The canonical SMILES for 1-[2-[4-(furan-3-yl)pyrazol-1-yl]ethyl]-3-(2-methoxyethyl)urea is COCCNC(=O)NCCn1cc(-c2ccoc2)cn1.
What is the InChIKey of 1-[2-[4-(furan-3-yl)pyrazol-1-yl]ethyl]-3-(2-methoxyethyl)urea?
The InChIKey is ALGYQLWDZPUKHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3/c1-19-7-4-15-13(18)14-3-5-17-9-12(8-16-17)11-2-6-20-10-11/h2,6,8-10H,3-5,7H2,1H3,(H2,14,15,18).
What are the key properties of 1-[2-[4-(furan-3-yl)pyrazol-1-yl]ethyl]-3-(2-methoxyethyl)urea?
1-[2-[4-(furan-3-yl)pyrazol-1-yl]ethyl]-3-(2-methoxyethyl)urea has a molecular weight of 278.31 g/mol, XLogP of 1.09, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(furan-3-yl)pyrazol-1-yl]ethyl]-3-(2-methoxyethyl)urea is sourced from PubChem (CID 122244853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).