1-(3-tert-butyl-1-methylpyrazol-5-yl)-3-(5-fluoro-2-methylphenyl)urea

C16H21FN4O — CID 2811924

IUPAC1-(3-tert-butyl-1-methylpyrazol-5-yl)-3-(5-fluoro-2-methylphenyl)urea
SMILESCc1ccc(F)cc1NC(=O)Nc1cc(C(C)(C)C)nn1C
InChIInChI=1S/C16H21FN4O/c1-10-6-7-11(17)8-12(10)18-15(22)19-14-9-13(16(2,3)4)20-21(14)5/h6-9H,1-5H3,(H2,18,19,22)
InChIKeyNTYKGVIMGOWSNK-UHFFFAOYSA-N
MW304.37 g/mol
LogP3.81
Rot. Bonds2

About 1-(3-tert-butyl-1-methylpyrazol-5-yl)-3-(5-fluoro-2-methylphenyl)urea

1-(3-tert-butyl-1-methylpyrazol-5-yl)-3-(5-fluoro-2-methylphenyl)urea (PubChem CID 2811924) has the molecular formula C16H21FN4O and a molecular weight of 304.37 g/mol. Its IUPAC name is 1-(3-tert-butyl-1-methylpyrazol-5-yl)-3-(5-fluoro-2-methylphenyl)urea.

Molecular Properties

Compound Name1-(3-tert-butyl-1-methylpyrazol-5-yl)-3-(5-fluoro-2-methylphenyl)urea
PubChem CID2811924
Molecular FormulaC16H21FN4O
Molecular Weight304.37 g/mol
Exact Mass304.17
IUPAC Name1-(3-tert-butyl-1-methylpyrazol-5-yl)-3-(5-fluoro-2-methylphenyl)urea
SMILESCc1ccc(F)cc1NC(=O)Nc1cc(C(C)(C)C)nn1C
InChIInChI=1S/C16H21FN4O/c1-10-6-7-11(17)8-12(10)18-15(22)19-14-9-13(16(2,3)4)20-21(14)5/h6-9H,1-5H3,(H2,18,19,22)
InChIKeyNTYKGVIMGOWSNK-UHFFFAOYSA-N
XLogP3.81
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-tert-butyl-1-methylpyrazol-5-yl)-3-(5-fluoro-2-methylphenyl)urea?
The IUPAC name of 1-(3-tert-butyl-1-methylpyrazol-5-yl)-3-(5-fluoro-2-methylphenyl)urea (CID 2811924) is 1-(3-tert-butyl-1-methylpyrazol-5-yl)-3-(5-fluoro-2-methylphenyl)urea.
What is the SMILES notation for 1-(3-tert-butyl-1-methylpyrazol-5-yl)-3-(5-fluoro-2-methylphenyl)urea?
The canonical SMILES for 1-(3-tert-butyl-1-methylpyrazol-5-yl)-3-(5-fluoro-2-methylphenyl)urea is Cc1ccc(F)cc1NC(=O)Nc1cc(C(C)(C)C)nn1C.
What is the InChIKey of 1-(3-tert-butyl-1-methylpyrazol-5-yl)-3-(5-fluoro-2-methylphenyl)urea?
The InChIKey is NTYKGVIMGOWSNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4O/c1-10-6-7-11(17)8-12(10)18-15(22)19-14-9-13(16(2,3)4)20-21(14)5/h6-9H,1-5H3,(H2,18,19,22).
What are the key properties of 1-(3-tert-butyl-1-methylpyrazol-5-yl)-3-(5-fluoro-2-methylphenyl)urea?
1-(3-tert-butyl-1-methylpyrazol-5-yl)-3-(5-fluoro-2-methylphenyl)urea has a molecular weight of 304.37 g/mol, XLogP of 3.81, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-tert-butyl-1-methylpyrazol-5-yl)-3-(5-fluoro-2-methylphenyl)urea is sourced from PubChem (CID 2811924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).