1-(2,3-dimethylindazol-6-yl)-3-[4-(trifluoromethyl)phenyl]urea

C17H15F3N4O — CID 74763930

IUPAC1-(2,3-dimethylindazol-6-yl)-3-[4-(trifluoromethyl)phenyl]urea
SMILESCc1c2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2nn1C
InChIInChI=1S/C17H15F3N4O/c1-10-14-8-7-13(9-15(14)23-24(10)2)22-16(25)21-12-5-3-11(4-6-12)17(18,19)20/h3-9H,1-2H3,(H2,21,22,25)
InChIKeyFNDUCPMDJZOWNX-UHFFFAOYSA-N
MW348.33 g/mol
LogP4.54
Rot. Bonds2

About 1-(2,3-dimethylindazol-6-yl)-3-[4-(trifluoromethyl)phenyl]urea

1-(2,3-dimethylindazol-6-yl)-3-[4-(trifluoromethyl)phenyl]urea (PubChem CID 74763930) has the molecular formula C17H15F3N4O and a molecular weight of 348.33 g/mol. Its IUPAC name is 1-(2,3-dimethylindazol-6-yl)-3-[4-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-(2,3-dimethylindazol-6-yl)-3-[4-(trifluoromethyl)phenyl]urea
PubChem CID74763930
Molecular FormulaC17H15F3N4O
Molecular Weight348.33 g/mol
Exact Mass348.12
IUPAC Name1-(2,3-dimethylindazol-6-yl)-3-[4-(trifluoromethyl)phenyl]urea
SMILESCc1c2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2nn1C
InChIInChI=1S/C17H15F3N4O/c1-10-14-8-7-13(9-15(14)23-24(10)2)22-16(25)21-12-5-3-11(4-6-12)17(18,19)20/h3-9H,1-2H3,(H2,21,22,25)
InChIKeyFNDUCPMDJZOWNX-UHFFFAOYSA-N
XLogP4.54
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.33
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylindazol-6-yl)-3-[4-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-(2,3-dimethylindazol-6-yl)-3-[4-(trifluoromethyl)phenyl]urea (CID 74763930) is 1-(2,3-dimethylindazol-6-yl)-3-[4-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-(2,3-dimethylindazol-6-yl)-3-[4-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-(2,3-dimethylindazol-6-yl)-3-[4-(trifluoromethyl)phenyl]urea is Cc1c2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2nn1C.
What is the InChIKey of 1-(2,3-dimethylindazol-6-yl)-3-[4-(trifluoromethyl)phenyl]urea?
The InChIKey is FNDUCPMDJZOWNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N4O/c1-10-14-8-7-13(9-15(14)23-24(10)2)22-16(25)21-12-5-3-11(4-6-12)17(18,19)20/h3-9H,1-2H3,(H2,21,22,25).
What are the key properties of 1-(2,3-dimethylindazol-6-yl)-3-[4-(trifluoromethyl)phenyl]urea?
1-(2,3-dimethylindazol-6-yl)-3-[4-(trifluoromethyl)phenyl]urea has a molecular weight of 348.33 g/mol, XLogP of 4.54, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylindazol-6-yl)-3-[4-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 74763930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).