1-[[1-(3-fluoro-4-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-3-[6-(hydroxymethyl)-3-pyridinyl]urea

C19H17F4N5O2 — CID 71238763

About 1-[[1-(3-fluoro-4-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-3-[6-(hydroxymethyl)-3-pyridinyl]urea

1-[[1-(3-fluoro-4-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-3-[6-(hydroxymethyl)-3-pyridinyl]urea (PubChem CID 71238763) has the molecular formula C19H17F4N5O2 and a molecular weight of 423.37 g/mol. Its IUPAC name is 1-[[1-(3-fluoro-4-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-3-[6-(hydroxymethyl)-3-pyridinyl]urea.

Molecular Properties

• Compound Name: 1-[[1-(3-fluoro-4-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-3-[6-(hydroxymethyl)-3-pyridinyl]urea
• PubChem CID: 71238763
• Molecular Formula: C19H17F4N5O2
• Molecular Weight: 423.37 g/mol
• Exact Mass: 423.13
• IUPAC Name: 1-[[1-(3-fluoro-4-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-3-[6-(hydroxymethyl)-3-pyridinyl]urea
• SMILES: Cc1ccc(-n2nc(C(F)(F)F)cc2CNC(=O)Nc2ccc(CO)nc2)cc1F
• InChI: InChI=1S/C19H17F4N5O2/c1-11-2-5-14(6-16(11)20)28-15(7-17(27-28)19(21,22)23)9-25-18(30)26-12-3-4-13(10-29)24-8-12/h2-8,29H,9-10H2,1H3,(H2,25,26,30)
• InChIKey: KICPZFYMEATGBY-UHFFFAOYSA-N
• XLogP: 3.55
• TPSA: 92.07 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	423.37
LogP ≤ 5	3.55
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(3-fluoro-4-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-3-[6-(hydroxymethyl)-3-pyridinyl]urea?

The IUPAC name of 1-[[1-(3-fluoro-4-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-3-[6-(hydroxymethyl)-3-pyridinyl]urea (CID 71238763) is 1-[[1-(3-fluoro-4-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-3-[6-(hydroxymethyl)-3-pyridinyl]urea.

What is the SMILES notation for 1-[[1-(3-fluoro-4-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-3-[6-(hydroxymethyl)-3-pyridinyl]urea?

The canonical SMILES for 1-[[1-(3-fluoro-4-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-3-[6-(hydroxymethyl)-3-pyridinyl]urea is Cc1ccc(-n2nc(C(F)(F)F)cc2CNC(=O)Nc2ccc(CO)nc2)cc1F.

What is the InChIKey of 1-[[1-(3-fluoro-4-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-3-[6-(hydroxymethyl)-3-pyridinyl]urea?

The InChIKey is KICPZFYMEATGBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F4N5O2/c1-11-2-5-14(6-16(11)20)28-15(7-17(27-28)19(21,22)23)9-25-18(30)26-12-3-4-13(10-29)24-8-12/h2-8,29H,9-10H2,1H3,(H2,25,26,30).

What are the key properties of 1-[[1-(3-fluoro-4-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-3-[6-(hydroxymethyl)-3-pyridinyl]urea?

1-[[1-(3-fluoro-4-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-3-[6-(hydroxymethyl)-3-pyridinyl]urea has a molecular weight of 423.37 g/mol, XLogP of 3.55, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[1-(3-fluoro-4-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-3-[6-(hydroxymethyl)-3-pyridinyl]urea is sourced from PubChem (CID 71238763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).