1-(1-methyl-3-propylpyrazol-5-yl)-3-[[5-(trifluoromethyl)-1,2-oxazol-3-yl]methyl]urea

C13H16F3N5O2 — CID 126815812

IUPAC1-(1-methyl-3-propylpyrazol-5-yl)-3-[[5-(trifluoromethyl)-1,2-oxazol-3-yl]methyl]urea
SMILESCCCc1cc(NC(=O)NCc2cc(C(F)(F)F)on2)n(C)n1
InChIInChI=1S/C13H16F3N5O2/c1-3-4-8-6-11(21(2)19-8)18-12(22)17-7-9-5-10(23-20-9)13(14,15)16/h5-6H,3-4,7H2,1-2H3,(H2,17,18,22)
InChIKeyUVKCFKPFEUAZDD-UHFFFAOYSA-N
MW331.30 g/mol
LogP2.70
Rot. Bonds5

About 1-(1-methyl-3-propylpyrazol-5-yl)-3-[[5-(trifluoromethyl)-1,2-oxazol-3-yl]methyl]urea

1-(1-methyl-3-propylpyrazol-5-yl)-3-[[5-(trifluoromethyl)-1,2-oxazol-3-yl]methyl]urea (PubChem CID 126815812) has the molecular formula C13H16F3N5O2 and a molecular weight of 331.30 g/mol. Its IUPAC name is 1-(1-methyl-3-propylpyrazol-5-yl)-3-[[5-(trifluoromethyl)-1,2-oxazol-3-yl]methyl]urea.

Molecular Properties

Compound Name1-(1-methyl-3-propylpyrazol-5-yl)-3-[[5-(trifluoromethyl)-1,2-oxazol-3-yl]methyl]urea
PubChem CID126815812
Molecular FormulaC13H16F3N5O2
Molecular Weight331.30 g/mol
Exact Mass331.13
IUPAC Name1-(1-methyl-3-propylpyrazol-5-yl)-3-[[5-(trifluoromethyl)-1,2-oxazol-3-yl]methyl]urea
SMILESCCCc1cc(NC(=O)NCc2cc(C(F)(F)F)on2)n(C)n1
InChIInChI=1S/C13H16F3N5O2/c1-3-4-8-6-11(21(2)19-8)18-12(22)17-7-9-5-10(23-20-9)13(14,15)16/h5-6H,3-4,7H2,1-2H3,(H2,17,18,22)
InChIKeyUVKCFKPFEUAZDD-UHFFFAOYSA-N
XLogP2.70
TPSA84.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.30
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-3-propylpyrazol-5-yl)-3-[[5-(trifluoromethyl)-1,2-oxazol-3-yl]methyl]urea?
The IUPAC name of 1-(1-methyl-3-propylpyrazol-5-yl)-3-[[5-(trifluoromethyl)-1,2-oxazol-3-yl]methyl]urea (CID 126815812) is 1-(1-methyl-3-propylpyrazol-5-yl)-3-[[5-(trifluoromethyl)-1,2-oxazol-3-yl]methyl]urea.
What is the SMILES notation for 1-(1-methyl-3-propylpyrazol-5-yl)-3-[[5-(trifluoromethyl)-1,2-oxazol-3-yl]methyl]urea?
The canonical SMILES for 1-(1-methyl-3-propylpyrazol-5-yl)-3-[[5-(trifluoromethyl)-1,2-oxazol-3-yl]methyl]urea is CCCc1cc(NC(=O)NCc2cc(C(F)(F)F)on2)n(C)n1.
What is the InChIKey of 1-(1-methyl-3-propylpyrazol-5-yl)-3-[[5-(trifluoromethyl)-1,2-oxazol-3-yl]methyl]urea?
The InChIKey is UVKCFKPFEUAZDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N5O2/c1-3-4-8-6-11(21(2)19-8)18-12(22)17-7-9-5-10(23-20-9)13(14,15)16/h5-6H,3-4,7H2,1-2H3,(H2,17,18,22).
What are the key properties of 1-(1-methyl-3-propylpyrazol-5-yl)-3-[[5-(trifluoromethyl)-1,2-oxazol-3-yl]methyl]urea?
1-(1-methyl-3-propylpyrazol-5-yl)-3-[[5-(trifluoromethyl)-1,2-oxazol-3-yl]methyl]urea has a molecular weight of 331.30 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-3-propylpyrazol-5-yl)-3-[[5-(trifluoromethyl)-1,2-oxazol-3-yl]methyl]urea is sourced from PubChem (CID 126815812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).