1-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-(4-fluoro-2,3-dihydro-1H-inden-1-yl)urea

C19H25FN4O — CID 86838349

About 1-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-(4-fluoro-2,3-dihydro-1H-inden-1-yl)urea

1-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-(4-fluoro-2,3-dihydro-1H-inden-1-yl)urea (PubChem CID 86838349) has the molecular formula C19H25FN4O and a molecular weight of 344.43 g/mol. Its IUPAC name is 1-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-(4-fluoro-2,3-dihydro-1H-inden-1-yl)urea.

Molecular Properties

• Compound Name: 1-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-(4-fluoro-2,3-dihydro-1H-inden-1-yl)urea
• PubChem CID: 86838349
• Molecular Formula: C19H25FN4O
• Molecular Weight: 344.43 g/mol
• Exact Mass: 344.20
• IUPAC Name: 1-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-(4-fluoro-2,3-dihydro-1H-inden-1-yl)urea
• SMILES: Cc1cc(C)n(CC(C)CNC(=O)NC2CCc3c(F)cccc32)n1
• InChI: InChI=1S/C19H25FN4O/c1-12(11-24-14(3)9-13(2)23-24)10-21-19(25)22-18-8-7-15-16(18)5-4-6-17(15)20/h4-6,9,12,18H,7-8,10-11H2,1-3H3,(H2,21,22,25)
• InChIKey: QPFWJDFZQKLUFB-UHFFFAOYSA-N
• XLogP: 3.26
• TPSA: 58.95 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	344.43
LogP ≤ 5	3.26
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-(4-fluoro-2,3-dihydro-1H-inden-1-yl)urea?

The IUPAC name of 1-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-(4-fluoro-2,3-dihydro-1H-inden-1-yl)urea (CID 86838349) is 1-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-(4-fluoro-2,3-dihydro-1H-inden-1-yl)urea.

What is the SMILES notation for 1-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-(4-fluoro-2,3-dihydro-1H-inden-1-yl)urea?

The canonical SMILES for 1-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-(4-fluoro-2,3-dihydro-1H-inden-1-yl)urea is Cc1cc(C)n(CC(C)CNC(=O)NC2CCc3c(F)cccc32)n1.

What is the InChIKey of 1-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-(4-fluoro-2,3-dihydro-1H-inden-1-yl)urea?

The InChIKey is QPFWJDFZQKLUFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4O/c1-12(11-24-14(3)9-13(2)23-24)10-21-19(25)22-18-8-7-15-16(18)5-4-6-17(15)20/h4-6,9,12,18H,7-8,10-11H2,1-3H3,(H2,21,22,25).

What are the key properties of 1-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-(4-fluoro-2,3-dihydro-1H-inden-1-yl)urea?

1-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-(4-fluoro-2,3-dihydro-1H-inden-1-yl)urea has a molecular weight of 344.43 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-(4-fluoro-2,3-dihydro-1H-inden-1-yl)urea is sourced from PubChem (CID 86838349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).