1-[2-fluoro-5-(furan-2-yl)phenyl]-3-[1-(2-hydroxyethyl)pyrazol-4-yl]urea

C16H15FN4O3 — CID 111475578

IUPAC1-[2-fluoro-5-(furan-2-yl)phenyl]-3-[1-(2-hydroxyethyl)pyrazol-4-yl]urea
SMILESO=C(Nc1cnn(CCO)c1)Nc1cc(-c2ccco2)ccc1F
InChIInChI=1S/C16H15FN4O3/c17-13-4-3-11(15-2-1-7-24-15)8-14(13)20-16(23)19-12-9-18-21(10-12)5-6-22/h1-4,7-10,22H,5-6H2,(H2,19,20,23)
InChIKeyQOSCGAWYJMKMLU-UHFFFAOYSA-N
MW330.32 g/mol
LogP2.92
Rot. Bonds5

About 1-[2-fluoro-5-(furan-2-yl)phenyl]-3-[1-(2-hydroxyethyl)pyrazol-4-yl]urea

1-[2-fluoro-5-(furan-2-yl)phenyl]-3-[1-(2-hydroxyethyl)pyrazol-4-yl]urea (PubChem CID 111475578) has the molecular formula C16H15FN4O3 and a molecular weight of 330.32 g/mol. Its IUPAC name is 1-[2-fluoro-5-(furan-2-yl)phenyl]-3-[1-(2-hydroxyethyl)pyrazol-4-yl]urea.

Molecular Properties

Compound Name1-[2-fluoro-5-(furan-2-yl)phenyl]-3-[1-(2-hydroxyethyl)pyrazol-4-yl]urea
PubChem CID111475578
Molecular FormulaC16H15FN4O3
Molecular Weight330.32 g/mol
Exact Mass330.11
IUPAC Name1-[2-fluoro-5-(furan-2-yl)phenyl]-3-[1-(2-hydroxyethyl)pyrazol-4-yl]urea
SMILESO=C(Nc1cnn(CCO)c1)Nc1cc(-c2ccco2)ccc1F
InChIInChI=1S/C16H15FN4O3/c17-13-4-3-11(15-2-1-7-24-15)8-14(13)20-16(23)19-12-9-18-21(10-12)5-6-22/h1-4,7-10,22H,5-6H2,(H2,19,20,23)
InChIKeyQOSCGAWYJMKMLU-UHFFFAOYSA-N
XLogP2.92
TPSA92.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.32
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-5-(furan-2-yl)phenyl]-3-[1-(2-hydroxyethyl)pyrazol-4-yl]urea?
The IUPAC name of 1-[2-fluoro-5-(furan-2-yl)phenyl]-3-[1-(2-hydroxyethyl)pyrazol-4-yl]urea (CID 111475578) is 1-[2-fluoro-5-(furan-2-yl)phenyl]-3-[1-(2-hydroxyethyl)pyrazol-4-yl]urea.
What is the SMILES notation for 1-[2-fluoro-5-(furan-2-yl)phenyl]-3-[1-(2-hydroxyethyl)pyrazol-4-yl]urea?
The canonical SMILES for 1-[2-fluoro-5-(furan-2-yl)phenyl]-3-[1-(2-hydroxyethyl)pyrazol-4-yl]urea is O=C(Nc1cnn(CCO)c1)Nc1cc(-c2ccco2)ccc1F.
What is the InChIKey of 1-[2-fluoro-5-(furan-2-yl)phenyl]-3-[1-(2-hydroxyethyl)pyrazol-4-yl]urea?
The InChIKey is QOSCGAWYJMKMLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4O3/c17-13-4-3-11(15-2-1-7-24-15)8-14(13)20-16(23)19-12-9-18-21(10-12)5-6-22/h1-4,7-10,22H,5-6H2,(H2,19,20,23).
What are the key properties of 1-[2-fluoro-5-(furan-2-yl)phenyl]-3-[1-(2-hydroxyethyl)pyrazol-4-yl]urea?
1-[2-fluoro-5-(furan-2-yl)phenyl]-3-[1-(2-hydroxyethyl)pyrazol-4-yl]urea has a molecular weight of 330.32 g/mol, XLogP of 2.92, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-5-(furan-2-yl)phenyl]-3-[1-(2-hydroxyethyl)pyrazol-4-yl]urea is sourced from PubChem (CID 111475578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).