1-[(4-fluorophenyl)methyl]-3-[1-(oxan-4-yl)pyrazol-4-yl]urea

C16H19FN4O2 — CID 71810278

IUPAC1-[(4-fluorophenyl)methyl]-3-[1-(oxan-4-yl)pyrazol-4-yl]urea
SMILESO=C(NCc1ccc(F)cc1)Nc1cnn(C2CCOCC2)c1
InChIInChI=1S/C16H19FN4O2/c17-13-3-1-12(2-4-13)9-18-16(22)20-14-10-19-21(11-14)15-5-7-23-8-6-15/h1-4,10-11,15H,5-9H2,(H2,18,20,22)
InChIKeyFUNMAGUGLDIEOY-UHFFFAOYSA-N
MW318.35 g/mol
LogP2.70
Rot. Bonds4

About 1-[(4-fluorophenyl)methyl]-3-[1-(oxan-4-yl)pyrazol-4-yl]urea

1-[(4-fluorophenyl)methyl]-3-[1-(oxan-4-yl)pyrazol-4-yl]urea (PubChem CID 71810278) has the molecular formula C16H19FN4O2 and a molecular weight of 318.35 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-3-[1-(oxan-4-yl)pyrazol-4-yl]urea.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-3-[1-(oxan-4-yl)pyrazol-4-yl]urea
PubChem CID71810278
Molecular FormulaC16H19FN4O2
Molecular Weight318.35 g/mol
Exact Mass318.15
IUPAC Name1-[(4-fluorophenyl)methyl]-3-[1-(oxan-4-yl)pyrazol-4-yl]urea
SMILESO=C(NCc1ccc(F)cc1)Nc1cnn(C2CCOCC2)c1
InChIInChI=1S/C16H19FN4O2/c17-13-3-1-12(2-4-13)9-18-16(22)20-14-10-19-21(11-14)15-5-7-23-8-6-15/h1-4,10-11,15H,5-9H2,(H2,18,20,22)
InChIKeyFUNMAGUGLDIEOY-UHFFFAOYSA-N
XLogP2.70
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-3-[1-(oxan-4-yl)pyrazol-4-yl]urea?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-3-[1-(oxan-4-yl)pyrazol-4-yl]urea (CID 71810278) is 1-[(4-fluorophenyl)methyl]-3-[1-(oxan-4-yl)pyrazol-4-yl]urea.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-3-[1-(oxan-4-yl)pyrazol-4-yl]urea?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-3-[1-(oxan-4-yl)pyrazol-4-yl]urea is O=C(NCc1ccc(F)cc1)Nc1cnn(C2CCOCC2)c1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-3-[1-(oxan-4-yl)pyrazol-4-yl]urea?
The InChIKey is FUNMAGUGLDIEOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O2/c17-13-3-1-12(2-4-13)9-18-16(22)20-14-10-19-21(11-14)15-5-7-23-8-6-15/h1-4,10-11,15H,5-9H2,(H2,18,20,22).
What are the key properties of 1-[(4-fluorophenyl)methyl]-3-[1-(oxan-4-yl)pyrazol-4-yl]urea?
1-[(4-fluorophenyl)methyl]-3-[1-(oxan-4-yl)pyrazol-4-yl]urea has a molecular weight of 318.35 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-3-[1-(oxan-4-yl)pyrazol-4-yl]urea is sourced from PubChem (CID 71810278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).