1-(1H-indazol-6-yl)-3-[4-(trifluoromethyl)phenyl]urea

C15H11F3N4O — CID 108896278

IUPAC1-(1H-indazol-6-yl)-3-[4-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)Nc1ccc2cn[nH]c2c1
InChIInChI=1S/C15H11F3N4O/c16-15(17,18)10-2-5-11(6-3-10)20-14(23)21-12-4-1-9-8-19-22-13(9)7-12/h1-8H,(H,19,22)(H2,20,21,23)
InChIKeyARWCGJCPGBNITQ-UHFFFAOYSA-N
MW320.27 g/mol
LogP4.23
Rot. Bonds2

About 1-(1H-indazol-6-yl)-3-[4-(trifluoromethyl)phenyl]urea

1-(1H-indazol-6-yl)-3-[4-(trifluoromethyl)phenyl]urea (PubChem CID 108896278) has the molecular formula C15H11F3N4O and a molecular weight of 320.27 g/mol. Its IUPAC name is 1-(1H-indazol-6-yl)-3-[4-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-(1H-indazol-6-yl)-3-[4-(trifluoromethyl)phenyl]urea
PubChem CID108896278
Molecular FormulaC15H11F3N4O
Molecular Weight320.27 g/mol
Exact Mass320.09
IUPAC Name1-(1H-indazol-6-yl)-3-[4-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)Nc1ccc2cn[nH]c2c1
InChIInChI=1S/C15H11F3N4O/c16-15(17,18)10-2-5-11(6-3-10)20-14(23)21-12-4-1-9-8-19-22-13(9)7-12/h1-8H,(H,19,22)(H2,20,21,23)
InChIKeyARWCGJCPGBNITQ-UHFFFAOYSA-N
XLogP4.23
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.27
LogP ≤ 54.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromophenyl)-3-(1H-indazol-6-yl)urea
CID 108869291
1-(1H-indazol-6-yl)-3-(4-methylphenyl)urea
CID 4256141
1-(1H-indazol-6-yl)-3-(4-methoxyphenyl)urea
CID 108866360
N-[[4-(trifluoromethyl)phenyl]methyl]-1H-indazol-6-amine
CID 5333527
1-(2-tert-butyl-1,3-dioxoisoindol-5-yl)-3-(1H-indazol-6-yl)urea
CID 108873385
1-(3H-benzimidazol-5-yl)-3-(1H-indazol-6-yl)urea
CID 108885965
1-(1H-indazol-6-yl)-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 108812161
1-(furan-2-yl)-3-(1H-indazol-6-yl)urea
CID 108868544
1-[2-chloro-5-(trifluoromethyl)phenyl]-3-(1H-indazol-6-yl)thiourea
CID 2621151
1-(cyanomethyl)-3-(1H-indazol-6-yl)urea
CID 108864826
ethyl [4-(1H-indazol-6-ylcarbamoylamino)phenyl] carbonate
CID 108865659
N-(4-cyanophenyl)-N'-(1H-indazol-6-yl)oxamide
CID 108519482

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indazol-6-yl)-3-[4-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-(1H-indazol-6-yl)-3-[4-(trifluoromethyl)phenyl]urea (CID 108896278) is 1-(1H-indazol-6-yl)-3-[4-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-(1H-indazol-6-yl)-3-[4-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-(1H-indazol-6-yl)-3-[4-(trifluoromethyl)phenyl]urea is O=C(Nc1ccc(C(F)(F)F)cc1)Nc1ccc2cn[nH]c2c1.
What is the InChIKey of 1-(1H-indazol-6-yl)-3-[4-(trifluoromethyl)phenyl]urea?
The InChIKey is ARWCGJCPGBNITQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N4O/c16-15(17,18)10-2-5-11(6-3-10)20-14(23)21-12-4-1-9-8-19-22-13(9)7-12/h1-8H,(H,19,22)(H2,20,21,23).
What are the key properties of 1-(1H-indazol-6-yl)-3-[4-(trifluoromethyl)phenyl]urea?
1-(1H-indazol-6-yl)-3-[4-(trifluoromethyl)phenyl]urea has a molecular weight of 320.27 g/mol, XLogP of 4.23, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indazol-6-yl)-3-[4-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 108896278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).