1-(3,4-difluorophenyl)-3-[3-(4-fluoro-1-methylpyrazol-5-yl)-4-methoxyphenyl]urea

C18H15F3N4O2 — CID 11588889

IUPAC1-(3,4-difluorophenyl)-3-[3-(4-fluoro-1-methylpyrazol-5-yl)-4-methoxyphenyl]urea
SMILESCOc1ccc(NC(=O)Nc2ccc(F)c(F)c2)cc1-c1c(F)cnn1C
InChIInChI=1S/C18H15F3N4O2/c1-25-17(15(21)9-22-25)12-7-10(4-6-16(12)27-2)23-18(26)24-11-3-5-13(19)14(20)8-11/h3-9H,1-2H3,(H2,23,24,26)
InChIKeyIQZBUIXIRRPSOX-UHFFFAOYSA-N
MW376.34 g/mol
LogP4.16
Rot. Bonds4

About 1-(3,4-difluorophenyl)-3-[3-(4-fluoro-1-methylpyrazol-5-yl)-4-methoxyphenyl]urea

1-(3,4-difluorophenyl)-3-[3-(4-fluoro-1-methylpyrazol-5-yl)-4-methoxyphenyl]urea (PubChem CID 11588889) has the molecular formula C18H15F3N4O2 and a molecular weight of 376.34 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-3-[3-(4-fluoro-1-methylpyrazol-5-yl)-4-methoxyphenyl]urea.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-3-[3-(4-fluoro-1-methylpyrazol-5-yl)-4-methoxyphenyl]urea
PubChem CID11588889
Molecular FormulaC18H15F3N4O2
Molecular Weight376.34 g/mol
Exact Mass376.11
IUPAC Name1-(3,4-difluorophenyl)-3-[3-(4-fluoro-1-methylpyrazol-5-yl)-4-methoxyphenyl]urea
SMILESCOc1ccc(NC(=O)Nc2ccc(F)c(F)c2)cc1-c1c(F)cnn1C
InChIInChI=1S/C18H15F3N4O2/c1-25-17(15(21)9-22-25)12-7-10(4-6-16(12)27-2)23-18(26)24-11-3-5-13(19)14(20)8-11/h3-9H,1-2H3,(H2,23,24,26)
InChIKeyIQZBUIXIRRPSOX-UHFFFAOYSA-N
XLogP4.16
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.34
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(3,4-difluorophenyl)-3-[3-(4-fluoro-1-methylpyrazol-5-yl)-4-methoxyphenyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-3-[3-(4-fluoro-1-methylpyrazol-5-yl)-4-methoxyphenyl]urea?
The IUPAC name of 1-(3,4-difluorophenyl)-3-[3-(4-fluoro-1-methylpyrazol-5-yl)-4-methoxyphenyl]urea (CID 11588889) is 1-(3,4-difluorophenyl)-3-[3-(4-fluoro-1-methylpyrazol-5-yl)-4-methoxyphenyl]urea.
What is the SMILES notation for 1-(3,4-difluorophenyl)-3-[3-(4-fluoro-1-methylpyrazol-5-yl)-4-methoxyphenyl]urea?
The canonical SMILES for 1-(3,4-difluorophenyl)-3-[3-(4-fluoro-1-methylpyrazol-5-yl)-4-methoxyphenyl]urea is COc1ccc(NC(=O)Nc2ccc(F)c(F)c2)cc1-c1c(F)cnn1C.
What is the InChIKey of 1-(3,4-difluorophenyl)-3-[3-(4-fluoro-1-methylpyrazol-5-yl)-4-methoxyphenyl]urea?
The InChIKey is IQZBUIXIRRPSOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4O2/c1-25-17(15(21)9-22-25)12-7-10(4-6-16(12)27-2)23-18(26)24-11-3-5-13(19)14(20)8-11/h3-9H,1-2H3,(H2,23,24,26).
What are the key properties of 1-(3,4-difluorophenyl)-3-[3-(4-fluoro-1-methylpyrazol-5-yl)-4-methoxyphenyl]urea?
1-(3,4-difluorophenyl)-3-[3-(4-fluoro-1-methylpyrazol-5-yl)-4-methoxyphenyl]urea has a molecular weight of 376.34 g/mol, XLogP of 4.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-3-[3-(4-fluoro-1-methylpyrazol-5-yl)-4-methoxyphenyl]urea is sourced from PubChem (CID 11588889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).