1-(1-methylindazol-4-yl)-3-[[4-(trifluoromethoxy)phenyl]methyl]urea

C17H15F3N4O2 — CID 11405844

IUPAC1-(1-methylindazol-4-yl)-3-[[4-(trifluoromethoxy)phenyl]methyl]urea
SMILESCn1ncc2c(NC(=O)NCc3ccc(OC(F)(F)F)cc3)cccc21
InChIInChI=1S/C17H15F3N4O2/c1-24-15-4-2-3-14(13(15)10-22-24)23-16(25)21-9-11-5-7-12(8-6-11)26-17(18,19)20/h2-8,10H,9H2,1H3,(H2,21,23,25)
InChIKeyRJWWWCFBFUBOEB-UHFFFAOYSA-N
MW364.33 g/mol
LogP3.79
Rot. Bonds4

About 1-(1-methylindazol-4-yl)-3-[[4-(trifluoromethoxy)phenyl]methyl]urea

1-(1-methylindazol-4-yl)-3-[[4-(trifluoromethoxy)phenyl]methyl]urea (PubChem CID 11405844) has the molecular formula C17H15F3N4O2 and a molecular weight of 364.33 g/mol. Its IUPAC name is 1-(1-methylindazol-4-yl)-3-[[4-(trifluoromethoxy)phenyl]methyl]urea.

Molecular Properties

Compound Name1-(1-methylindazol-4-yl)-3-[[4-(trifluoromethoxy)phenyl]methyl]urea
PubChem CID11405844
Molecular FormulaC17H15F3N4O2
Molecular Weight364.33 g/mol
Exact Mass364.11
IUPAC Name1-(1-methylindazol-4-yl)-3-[[4-(trifluoromethoxy)phenyl]methyl]urea
SMILESCn1ncc2c(NC(=O)NCc3ccc(OC(F)(F)F)cc3)cccc21
InChIInChI=1S/C17H15F3N4O2/c1-24-15-4-2-3-14(13(15)10-22-24)23-16(25)21-9-11-5-7-12(8-6-11)26-17(18,19)20/h2-8,10H,9H2,1H3,(H2,21,23,25)
InChIKeyRJWWWCFBFUBOEB-UHFFFAOYSA-N
XLogP3.79
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.33
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylindazol-4-yl)-3-[[4-(trifluoromethoxy)phenyl]methyl]urea?
The IUPAC name of 1-(1-methylindazol-4-yl)-3-[[4-(trifluoromethoxy)phenyl]methyl]urea (CID 11405844) is 1-(1-methylindazol-4-yl)-3-[[4-(trifluoromethoxy)phenyl]methyl]urea.
What is the SMILES notation for 1-(1-methylindazol-4-yl)-3-[[4-(trifluoromethoxy)phenyl]methyl]urea?
The canonical SMILES for 1-(1-methylindazol-4-yl)-3-[[4-(trifluoromethoxy)phenyl]methyl]urea is Cn1ncc2c(NC(=O)NCc3ccc(OC(F)(F)F)cc3)cccc21.
What is the InChIKey of 1-(1-methylindazol-4-yl)-3-[[4-(trifluoromethoxy)phenyl]methyl]urea?
The InChIKey is RJWWWCFBFUBOEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N4O2/c1-24-15-4-2-3-14(13(15)10-22-24)23-16(25)21-9-11-5-7-12(8-6-11)26-17(18,19)20/h2-8,10H,9H2,1H3,(H2,21,23,25).
What are the key properties of 1-(1-methylindazol-4-yl)-3-[[4-(trifluoromethoxy)phenyl]methyl]urea?
1-(1-methylindazol-4-yl)-3-[[4-(trifluoromethoxy)phenyl]methyl]urea has a molecular weight of 364.33 g/mol, XLogP of 3.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylindazol-4-yl)-3-[[4-(trifluoromethoxy)phenyl]methyl]urea is sourced from PubChem (CID 11405844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).