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

C17H15F3N4O — CID 24768208

IUPAC1-(1H-indazol-4-yl)-3-[1-[4-(trifluoromethyl)phenyl]ethyl]urea
SMILESCC(NC(=O)Nc1cccc2[nH]ncc12)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H15F3N4O/c1-10(11-5-7-12(8-6-11)17(18,19)20)22-16(25)23-14-3-2-4-15-13(14)9-21-24-15/h2-10H,1H3,(H,21,24)(H2,22,23,25)
InChIKeySLVGTOOOMMCFEW-UHFFFAOYSA-N
MW348.33 g/mol
LogP4.46
Rot. Bonds3

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

1-(1H-indazol-4-yl)-3-[1-[4-(trifluoromethyl)phenyl]ethyl]urea (PubChem CID 24768208) has the molecular formula C17H15F3N4O and a molecular weight of 348.33 g/mol. Its IUPAC name is 1-(1H-indazol-4-yl)-3-[1-[4-(trifluoromethyl)phenyl]ethyl]urea.

Molecular Properties

Compound Name1-(1H-indazol-4-yl)-3-[1-[4-(trifluoromethyl)phenyl]ethyl]urea
PubChem CID24768208
Molecular FormulaC17H15F3N4O
Molecular Weight348.33 g/mol
Exact Mass348.12
IUPAC Name1-(1H-indazol-4-yl)-3-[1-[4-(trifluoromethyl)phenyl]ethyl]urea
SMILESCC(NC(=O)Nc1cccc2[nH]ncc12)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H15F3N4O/c1-10(11-5-7-12(8-6-11)17(18,19)20)22-16(25)23-14-3-2-4-15-13(14)9-21-24-15/h2-10H,1H3,(H,21,24)(H2,22,23,25)
InChIKeySLVGTOOOMMCFEW-UHFFFAOYSA-N
XLogP4.46
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.33
LogP ≤ 54.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

Abt 102
CID 11256560
Abt-116
CID 46890602
1-[(1R,3R)-3-(2-fluorophenyl)cyclopentyl]-3-(1H-indazol-4-yl)urea
CID 60202428
1-[(1S,3S)-3-(2-fluorophenyl)cyclopentyl]-3-(1H-indazol-4-yl)urea
CID 66549082
1-[(1S,3S)-3-(3-fluorophenyl)cyclopentyl]-3-(1H-indazol-4-yl)urea
CID 66549271
1-[(1S,3R)-3-(3-fluorophenyl)cyclopentyl]-3-(1H-indazol-4-yl)urea
CID 66549275
1-(1H-indazol-4-yl)-3-[(1S,3S)-3-phenylcyclopentyl]urea
CID 66551085
1-(1H-indazol-4-yl)-3-[(1S,3R)-3-phenylcyclopentyl]urea
CID 66551282
1-{[4-(azepan-1-yl)-3-fluorophenyl]methyl}-3-1H-indazol-4-ylurea
CID 11338019
3-1H-indazol-4-yl-1-{[4-(trifluoromethyl)phenyl]methyl}urea
CID 11416356
A-795614
CID 11451659
1-{[4-(azepan-1-yl)-2-(trifluoromethyl)phenyl]methyl}-3-1H-indazol-4-ylurea
CID 16748249

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indazol-4-yl)-3-[1-[4-(trifluoromethyl)phenyl]ethyl]urea?
The IUPAC name of 1-(1H-indazol-4-yl)-3-[1-[4-(trifluoromethyl)phenyl]ethyl]urea (CID 24768208) is 1-(1H-indazol-4-yl)-3-[1-[4-(trifluoromethyl)phenyl]ethyl]urea.
What is the SMILES notation for 1-(1H-indazol-4-yl)-3-[1-[4-(trifluoromethyl)phenyl]ethyl]urea?
The canonical SMILES for 1-(1H-indazol-4-yl)-3-[1-[4-(trifluoromethyl)phenyl]ethyl]urea is CC(NC(=O)Nc1cccc2[nH]ncc12)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-(1H-indazol-4-yl)-3-[1-[4-(trifluoromethyl)phenyl]ethyl]urea?
The InChIKey is SLVGTOOOMMCFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N4O/c1-10(11-5-7-12(8-6-11)17(18,19)20)22-16(25)23-14-3-2-4-15-13(14)9-21-24-15/h2-10H,1H3,(H,21,24)(H2,22,23,25).
What are the key properties of 1-(1H-indazol-4-yl)-3-[1-[4-(trifluoromethyl)phenyl]ethyl]urea?
1-(1H-indazol-4-yl)-3-[1-[4-(trifluoromethyl)phenyl]ethyl]urea has a molecular weight of 348.33 g/mol, XLogP of 4.46, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indazol-4-yl)-3-[1-[4-(trifluoromethyl)phenyl]ethyl]urea is sourced from PubChem (CID 24768208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).