5-[2-butan-2-yl-4-(trifluoromethyl)imidazol-1-yl]-7-chloro-1H-indazole

C15H14ClF3N4 — CID 175134422

IUPAC5-[2-butan-2-yl-4-(trifluoromethyl)imidazol-1-yl]-7-chloro-1H-indazole
SMILESCCC(C)c1nc(C(F)(F)F)cn1-c1cc(Cl)c2[nH]ncc2c1
InChIInChI=1S/C15H14ClF3N4/c1-3-8(2)14-21-12(15(17,18)19)7-23(14)10-4-9-6-20-22-13(9)11(16)5-10/h4-8H,3H2,1-2H3,(H,20,22)
InChIKeyOIUUPKAYUCXSGE-UHFFFAOYSA-N
MW342.75 g/mol
LogP4.93
Rot. Bonds3

About 5-[2-butan-2-yl-4-(trifluoromethyl)imidazol-1-yl]-7-chloro-1H-indazole

5-[2-butan-2-yl-4-(trifluoromethyl)imidazol-1-yl]-7-chloro-1H-indazole (PubChem CID 175134422) has the molecular formula C15H14ClF3N4 and a molecular weight of 342.75 g/mol. Its IUPAC name is 5-[2-butan-2-yl-4-(trifluoromethyl)imidazol-1-yl]-7-chloro-1H-indazole.

Molecular Properties

Compound Name5-[2-butan-2-yl-4-(trifluoromethyl)imidazol-1-yl]-7-chloro-1H-indazole
PubChem CID175134422
Molecular FormulaC15H14ClF3N4
Molecular Weight342.75 g/mol
Exact Mass342.09
IUPAC Name5-[2-butan-2-yl-4-(trifluoromethyl)imidazol-1-yl]-7-chloro-1H-indazole
SMILESCCC(C)c1nc(C(F)(F)F)cn1-c1cc(Cl)c2[nH]ncc2c1
InChIInChI=1S/C15H14ClF3N4/c1-3-8(2)14-21-12(15(17,18)19)7-23(14)10-4-9-6-20-22-13(9)11(16)5-10/h4-8H,3H2,1-2H3,(H,20,22)
InChIKeyOIUUPKAYUCXSGE-UHFFFAOYSA-N
XLogP4.93
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.75
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[2-butan-2-yl-4-(trifluoromethyl)imidazol-1-yl]-7-chloro-1H-indazole?
The IUPAC name of 5-[2-butan-2-yl-4-(trifluoromethyl)imidazol-1-yl]-7-chloro-1H-indazole (CID 175134422) is 5-[2-butan-2-yl-4-(trifluoromethyl)imidazol-1-yl]-7-chloro-1H-indazole.
What is the SMILES notation for 5-[2-butan-2-yl-4-(trifluoromethyl)imidazol-1-yl]-7-chloro-1H-indazole?
The canonical SMILES for 5-[2-butan-2-yl-4-(trifluoromethyl)imidazol-1-yl]-7-chloro-1H-indazole is CCC(C)c1nc(C(F)(F)F)cn1-c1cc(Cl)c2[nH]ncc2c1.
What is the InChIKey of 5-[2-butan-2-yl-4-(trifluoromethyl)imidazol-1-yl]-7-chloro-1H-indazole?
The InChIKey is OIUUPKAYUCXSGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF3N4/c1-3-8(2)14-21-12(15(17,18)19)7-23(14)10-4-9-6-20-22-13(9)11(16)5-10/h4-8H,3H2,1-2H3,(H,20,22).
What are the key properties of 5-[2-butan-2-yl-4-(trifluoromethyl)imidazol-1-yl]-7-chloro-1H-indazole?
5-[2-butan-2-yl-4-(trifluoromethyl)imidazol-1-yl]-7-chloro-1H-indazole has a molecular weight of 342.75 g/mol, XLogP of 4.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-butan-2-yl-4-(trifluoromethyl)imidazol-1-yl]-7-chloro-1H-indazole is sourced from PubChem (CID 175134422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).