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

C17H14F4N4O — CID 91580750

IUPAC1-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-3-(1-methylindazol-3-yl)urea
SMILESCn1nc(NC(=O)NCc2ccc(F)c(C(F)(F)F)c2)c2ccccc21
InChIInChI=1S/C17H14F4N4O/c1-25-14-5-3-2-4-11(14)15(24-25)23-16(26)22-9-10-6-7-13(18)12(8-10)17(19,20)21/h2-8H,9H2,1H3,(H2,22,23,24,26)
InChIKeyVQCXWSOMTBFXBW-UHFFFAOYSA-N
MW366.32 g/mol
LogP4.05
Rot. Bonds3

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

1-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-3-(1-methylindazol-3-yl)urea (PubChem CID 91580750) has the molecular formula C17H14F4N4O and a molecular weight of 366.32 g/mol. Its IUPAC name is 1-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-3-(1-methylindazol-3-yl)urea.

Molecular Properties

Compound Name1-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-3-(1-methylindazol-3-yl)urea
PubChem CID91580750
Molecular FormulaC17H14F4N4O
Molecular Weight366.32 g/mol
Exact Mass366.11
IUPAC Name1-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-3-(1-methylindazol-3-yl)urea
SMILESCn1nc(NC(=O)NCc2ccc(F)c(C(F)(F)F)c2)c2ccccc21
InChIInChI=1S/C17H14F4N4O/c1-25-14-5-3-2-4-11(14)15(24-25)23-16(26)22-9-10-6-7-13(18)12(8-10)17(19,20)21/h2-8H,9H2,1H3,(H2,22,23,24,26)
InChIKeyVQCXWSOMTBFXBW-UHFFFAOYSA-N
XLogP4.05
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.32
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-Fluorophenyl)-3-[4-(4-fluorophenyl)-2-methyl-5-(trifluoromethyl)-3-pyrazolyl]urea
CID 2810695
1-[(4-fluorophenyl)methyl]-3-(1-methyl-1H-indazol-4-yl)urea
CID 22337693
N-(3,5-dimethylphenyl)-N'-(1-methyl-3-phenyl-1H-pyrazol-5-yl)urea
CID 2815275
N-[4-(dimethylamino)-1-methyl-1H-indazol-3-yl]-N'-phenylurea
CID 2812681
N-(2-fluorophenyl)-N'-(1-methyl-3-phenyl-1H-pyrazol-5-yl)urea
CID 2815489
1-(2,4-Difluorophenyl)-3-[4-(4-fluorophenyl)-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]urea
CID 2810118
1-[4-(4-Fluorophenyl)-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-3-phenyl-urea
CID 2810694
1-(4-Fluorophenyl)-3-[2-methyl-5-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]urea
CID 2810697
N-[4-(3-amino-1-methyl-1H-indazol-4-yl)-phenyl]-N''-(3-methylphenyl)urea
CID 11176194
1-(2-Benzyl-5-methylpyrazol-3-yl)-3-(3,4-difluorophenyl)urea
CID 48750778
1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-(1H-indazol-3-yl)urea
CID 25197520
1-[1-Benzyl-3-(2-methylcyclopropyl)pyrazol-5-yl]-3-(3-fluorophenyl)urea
CID 118715831

Frequently Asked Questions

What is the IUPAC name of 1-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-3-(1-methylindazol-3-yl)urea?
The IUPAC name of 1-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-3-(1-methylindazol-3-yl)urea (CID 91580750) is 1-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-3-(1-methylindazol-3-yl)urea.
What is the SMILES notation for 1-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-3-(1-methylindazol-3-yl)urea?
The canonical SMILES for 1-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-3-(1-methylindazol-3-yl)urea is Cn1nc(NC(=O)NCc2ccc(F)c(C(F)(F)F)c2)c2ccccc21.
What is the InChIKey of 1-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-3-(1-methylindazol-3-yl)urea?
The InChIKey is VQCXWSOMTBFXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F4N4O/c1-25-14-5-3-2-4-11(14)15(24-25)23-16(26)22-9-10-6-7-13(18)12(8-10)17(19,20)21/h2-8H,9H2,1H3,(H2,22,23,24,26).
What are the key properties of 1-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-3-(1-methylindazol-3-yl)urea?
1-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-3-(1-methylindazol-3-yl)urea has a molecular weight of 366.32 g/mol, XLogP of 4.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-3-(1-methylindazol-3-yl)urea is sourced from PubChem (CID 91580750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).