1-(2,5-dimethylpyrazol-3-yl)-3-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]urea

C13H16F3N5OS — CID 71986297

IUPAC1-(2,5-dimethylpyrazol-3-yl)-3-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]urea
SMILESCCC(NC(=O)Nc1cc(C)nn1C)c1nc(C(F)(F)F)cs1
InChIInChI=1S/C13H16F3N5OS/c1-4-8(11-18-9(6-23-11)13(14,15)16)17-12(22)19-10-5-7(2)20-21(10)3/h5-6,8H,4H2,1-3H3,(H2,17,19,22)
InChIKeyGYEVHCUQJQCEJJ-UHFFFAOYSA-N
MW347.37 g/mol
LogP3.48
Rot. Bonds4

About 1-(2,5-dimethylpyrazol-3-yl)-3-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]urea

1-(2,5-dimethylpyrazol-3-yl)-3-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]urea (PubChem CID 71986297) has the molecular formula C13H16F3N5OS and a molecular weight of 347.37 g/mol. Its IUPAC name is 1-(2,5-dimethylpyrazol-3-yl)-3-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]urea.

Molecular Properties

Compound Name1-(2,5-dimethylpyrazol-3-yl)-3-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]urea
PubChem CID71986297
Molecular FormulaC13H16F3N5OS
Molecular Weight347.37 g/mol
Exact Mass347.10
IUPAC Name1-(2,5-dimethylpyrazol-3-yl)-3-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]urea
SMILESCCC(NC(=O)Nc1cc(C)nn1C)c1nc(C(F)(F)F)cs1
InChIInChI=1S/C13H16F3N5OS/c1-4-8(11-18-9(6-23-11)13(14,15)16)17-12(22)19-10-5-7(2)20-21(10)3/h5-6,8H,4H2,1-3H3,(H2,17,19,22)
InChIKeyGYEVHCUQJQCEJJ-UHFFFAOYSA-N
XLogP3.48
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-3-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]urea?
The IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-3-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]urea (CID 71986297) is 1-(2,5-dimethylpyrazol-3-yl)-3-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]urea.
What is the SMILES notation for 1-(2,5-dimethylpyrazol-3-yl)-3-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]urea?
The canonical SMILES for 1-(2,5-dimethylpyrazol-3-yl)-3-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]urea is CCC(NC(=O)Nc1cc(C)nn1C)c1nc(C(F)(F)F)cs1.
What is the InChIKey of 1-(2,5-dimethylpyrazol-3-yl)-3-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]urea?
The InChIKey is GYEVHCUQJQCEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N5OS/c1-4-8(11-18-9(6-23-11)13(14,15)16)17-12(22)19-10-5-7(2)20-21(10)3/h5-6,8H,4H2,1-3H3,(H2,17,19,22).
What are the key properties of 1-(2,5-dimethylpyrazol-3-yl)-3-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]urea?
1-(2,5-dimethylpyrazol-3-yl)-3-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]urea has a molecular weight of 347.37 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylpyrazol-3-yl)-3-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]urea is sourced from PubChem (CID 71986297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).