1-(1H-indazol-4-yl)-3-[5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]urea

C18H15F3N4O — CID 11462535

IUPAC1-(1H-indazol-4-yl)-3-[5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]urea
SMILESO=C(Nc1cccc2[nH]ncc12)NC1CCc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C18H15F3N4O/c19-18(20,21)11-5-6-12-10(8-11)4-7-15(12)24-17(26)23-14-2-1-3-16-13(14)9-22-25-16/h1-3,5-6,8-9,15H,4,7H2,(H,22,25)(H2,23,24,26)
InChIKeyQLDCRXZBQVZDEZ-UHFFFAOYSA-N
MW360.34 g/mol
LogP4.39
Rot. Bonds2

About 1-(1H-indazol-4-yl)-3-[5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]urea

1-(1H-indazol-4-yl)-3-[5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]urea (PubChem CID 11462535) has the molecular formula C18H15F3N4O and a molecular weight of 360.34 g/mol. Its IUPAC name is 1-(1H-indazol-4-yl)-3-[5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]urea.

Molecular Properties

Compound Name1-(1H-indazol-4-yl)-3-[5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]urea
PubChem CID11462535
Molecular FormulaC18H15F3N4O
Molecular Weight360.34 g/mol
Exact Mass360.12
IUPAC Name1-(1H-indazol-4-yl)-3-[5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]urea
SMILESO=C(Nc1cccc2[nH]ncc12)NC1CCc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C18H15F3N4O/c19-18(20,21)11-5-6-12-10(8-11)4-7-15(12)24-17(26)23-14-2-1-3-16-13(14)9-22-25-16/h1-3,5-6,8-9,15H,4,7H2,(H,22,25)(H2,23,24,26)
InChIKeyQLDCRXZBQVZDEZ-UHFFFAOYSA-N
XLogP4.39
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.34
LogP ≤ 54.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-indazol-4-yl)-3-[5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]urea?
The IUPAC name of 1-(1H-indazol-4-yl)-3-[5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]urea (CID 11462535) is 1-(1H-indazol-4-yl)-3-[5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]urea.
What is the SMILES notation for 1-(1H-indazol-4-yl)-3-[5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]urea?
The canonical SMILES for 1-(1H-indazol-4-yl)-3-[5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]urea is O=C(Nc1cccc2[nH]ncc12)NC1CCc2cc(C(F)(F)F)ccc21.
What is the InChIKey of 1-(1H-indazol-4-yl)-3-[5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]urea?
The InChIKey is QLDCRXZBQVZDEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4O/c19-18(20,21)11-5-6-12-10(8-11)4-7-15(12)24-17(26)23-14-2-1-3-16-13(14)9-22-25-16/h1-3,5-6,8-9,15H,4,7H2,(H,22,25)(H2,23,24,26).
What are the key properties of 1-(1H-indazol-4-yl)-3-[5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]urea?
1-(1H-indazol-4-yl)-3-[5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]urea has a molecular weight of 360.34 g/mol, XLogP of 4.39, 2 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-[5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]urea is sourced from PubChem (CID 11462535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).