1-(5-fluoro-2-pyrazol-1-ylphenyl)-3-(3-hydroxy-4-methylpentyl)urea

C16H21FN4O2 — CID 71992283

IUPAC1-(5-fluoro-2-pyrazol-1-ylphenyl)-3-(3-hydroxy-4-methylpentyl)urea
SMILESCC(C)C(O)CCNC(=O)Nc1cc(F)ccc1-n1cccn1
InChIInChI=1S/C16H21FN4O2/c1-11(2)15(22)6-8-18-16(23)20-13-10-12(17)4-5-14(13)21-9-3-7-19-21/h3-5,7,9-11,15,22H,6,8H2,1-2H3,(H2,18,20,23)
InChIKeyFLXOSGJCARKXHA-UHFFFAOYSA-N
MW320.37 g/mol
LogP2.54
Rot. Bonds6

About 1-(5-fluoro-2-pyrazol-1-ylphenyl)-3-(3-hydroxy-4-methylpentyl)urea

1-(5-fluoro-2-pyrazol-1-ylphenyl)-3-(3-hydroxy-4-methylpentyl)urea (PubChem CID 71992283) has the molecular formula C16H21FN4O2 and a molecular weight of 320.37 g/mol. Its IUPAC name is 1-(5-fluoro-2-pyrazol-1-ylphenyl)-3-(3-hydroxy-4-methylpentyl)urea.

Molecular Properties

Compound Name1-(5-fluoro-2-pyrazol-1-ylphenyl)-3-(3-hydroxy-4-methylpentyl)urea
PubChem CID71992283
Molecular FormulaC16H21FN4O2
Molecular Weight320.37 g/mol
Exact Mass320.16
IUPAC Name1-(5-fluoro-2-pyrazol-1-ylphenyl)-3-(3-hydroxy-4-methylpentyl)urea
SMILESCC(C)C(O)CCNC(=O)Nc1cc(F)ccc1-n1cccn1
InChIInChI=1S/C16H21FN4O2/c1-11(2)15(22)6-8-18-16(23)20-13-10-12(17)4-5-14(13)21-9-3-7-19-21/h3-5,7,9-11,15,22H,6,8H2,1-2H3,(H2,18,20,23)
InChIKeyFLXOSGJCARKXHA-UHFFFAOYSA-N
XLogP2.54
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-pyrazol-1-ylphenyl)-3-(3-hydroxy-4-methylpentyl)urea?
The IUPAC name of 1-(5-fluoro-2-pyrazol-1-ylphenyl)-3-(3-hydroxy-4-methylpentyl)urea (CID 71992283) is 1-(5-fluoro-2-pyrazol-1-ylphenyl)-3-(3-hydroxy-4-methylpentyl)urea.
What is the SMILES notation for 1-(5-fluoro-2-pyrazol-1-ylphenyl)-3-(3-hydroxy-4-methylpentyl)urea?
The canonical SMILES for 1-(5-fluoro-2-pyrazol-1-ylphenyl)-3-(3-hydroxy-4-methylpentyl)urea is CC(C)C(O)CCNC(=O)Nc1cc(F)ccc1-n1cccn1.
What is the InChIKey of 1-(5-fluoro-2-pyrazol-1-ylphenyl)-3-(3-hydroxy-4-methylpentyl)urea?
The InChIKey is FLXOSGJCARKXHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4O2/c1-11(2)15(22)6-8-18-16(23)20-13-10-12(17)4-5-14(13)21-9-3-7-19-21/h3-5,7,9-11,15,22H,6,8H2,1-2H3,(H2,18,20,23).
What are the key properties of 1-(5-fluoro-2-pyrazol-1-ylphenyl)-3-(3-hydroxy-4-methylpentyl)urea?
1-(5-fluoro-2-pyrazol-1-ylphenyl)-3-(3-hydroxy-4-methylpentyl)urea has a molecular weight of 320.37 g/mol, XLogP of 2.54, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-pyrazol-1-ylphenyl)-3-(3-hydroxy-4-methylpentyl)urea is sourced from PubChem (CID 71992283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).