1-(5-fluoro-2-pyrazol-1-ylphenyl)-3-(2-morpholin-4-ylethyl)urea

C16H20FN5O2 — CID 56782657

IUPAC1-(5-fluoro-2-pyrazol-1-ylphenyl)-3-(2-morpholin-4-ylethyl)urea
SMILESO=C(NCCN1CCOCC1)Nc1cc(F)ccc1-n1cccn1
InChIInChI=1S/C16H20FN5O2/c17-13-2-3-15(22-6-1-4-19-22)14(12-13)20-16(23)18-5-7-21-8-10-24-11-9-21/h1-4,6,12H,5,7-11H2,(H2,18,20,23)
InChIKeyCUQJSAYAGBFZOM-UHFFFAOYSA-N
MW333.37 g/mol
LogP1.47
Rot. Bonds5

About 1-(5-fluoro-2-pyrazol-1-ylphenyl)-3-(2-morpholin-4-ylethyl)urea

1-(5-fluoro-2-pyrazol-1-ylphenyl)-3-(2-morpholin-4-ylethyl)urea (PubChem CID 56782657) has the molecular formula C16H20FN5O2 and a molecular weight of 333.37 g/mol. Its IUPAC name is 1-(5-fluoro-2-pyrazol-1-ylphenyl)-3-(2-morpholin-4-ylethyl)urea.

Molecular Properties

Compound Name1-(5-fluoro-2-pyrazol-1-ylphenyl)-3-(2-morpholin-4-ylethyl)urea
PubChem CID56782657
Molecular FormulaC16H20FN5O2
Molecular Weight333.37 g/mol
Exact Mass333.16
IUPAC Name1-(5-fluoro-2-pyrazol-1-ylphenyl)-3-(2-morpholin-4-ylethyl)urea
SMILESO=C(NCCN1CCOCC1)Nc1cc(F)ccc1-n1cccn1
InChIInChI=1S/C16H20FN5O2/c17-13-2-3-15(22-6-1-4-19-22)14(12-13)20-16(23)18-5-7-21-8-10-24-11-9-21/h1-4,6,12H,5,7-11H2,(H2,18,20,23)
InChIKeyCUQJSAYAGBFZOM-UHFFFAOYSA-N
XLogP1.47
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-pyrazol-1-ylphenyl)-3-(2-morpholin-4-ylethyl)urea?
The IUPAC name of 1-(5-fluoro-2-pyrazol-1-ylphenyl)-3-(2-morpholin-4-ylethyl)urea (CID 56782657) is 1-(5-fluoro-2-pyrazol-1-ylphenyl)-3-(2-morpholin-4-ylethyl)urea.
What is the SMILES notation for 1-(5-fluoro-2-pyrazol-1-ylphenyl)-3-(2-morpholin-4-ylethyl)urea?
The canonical SMILES for 1-(5-fluoro-2-pyrazol-1-ylphenyl)-3-(2-morpholin-4-ylethyl)urea is O=C(NCCN1CCOCC1)Nc1cc(F)ccc1-n1cccn1.
What is the InChIKey of 1-(5-fluoro-2-pyrazol-1-ylphenyl)-3-(2-morpholin-4-ylethyl)urea?
The InChIKey is CUQJSAYAGBFZOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN5O2/c17-13-2-3-15(22-6-1-4-19-22)14(12-13)20-16(23)18-5-7-21-8-10-24-11-9-21/h1-4,6,12H,5,7-11H2,(H2,18,20,23).
What are the key properties of 1-(5-fluoro-2-pyrazol-1-ylphenyl)-3-(2-morpholin-4-ylethyl)urea?
1-(5-fluoro-2-pyrazol-1-ylphenyl)-3-(2-morpholin-4-ylethyl)urea has a molecular weight of 333.37 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-pyrazol-1-ylphenyl)-3-(2-morpholin-4-ylethyl)urea is sourced from PubChem (CID 56782657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).