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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Related Compounds

1-(2,3-dimethylindazol-6-yl)-3-(4-fluorophenyl)urea
CID 74763932
1-(2,3-dimethylindazol-6-yl)-3-(1,3-thiazol-4-yl)urea
CID 74763951
N-(2-chloro-6-methylphenyl)-2-[(2,3-dimethylindazol-6-yl)carbamoylamino]-1,3-thiazole-5-carboxamide
CID 74763948
1-(5-methyl-2-phenylpyrazol-3-yl)-3-[4-(trifluoromethyl)phenyl]urea
CID 56844199
1-(3-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 727768
1-[4-hydroxy-3-(trifluoromethyl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 19433217
1-(2,3-dimethylindazol-6-yl)-3-[3-(1-pyridin-2-ylethenyl)-1H-indazol-6-yl]urea
CID 141356343
N-(1-methylbenzimidazol-5-yl)-4-(trifluoromethyl)benzamide
CID 110728545
1-(4-propan-2-ylphenyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 98000604
1-(4-methylthiophen-2-yl)-3-[4-(trifluoromethyl)phenyl]urea
CID 2808215
1-[3-cyano-1-(2-methyl-3-pyridinyl)indol-6-yl]-3-[4-(trifluoromethyl)phenyl]urea
CID 155412451
4-[[4-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 108896282

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).