5-[2-methoxy-4-(trifluoromethyl)imidazol-1-yl]-7-methyl-1H-indazole

C13H11F3N4O — CID 172752345

IUPAC5-[2-methoxy-4-(trifluoromethyl)imidazol-1-yl]-7-methyl-1H-indazole
SMILESCOc1nc(C(F)(F)F)cn1-c1cc(C)c2[nH]ncc2c1
InChIInChI=1S/C13H11F3N4O/c1-7-3-9(4-8-5-17-19-11(7)8)20-6-10(13(14,15)16)18-12(20)21-2/h3-6H,1-2H3,(H,17,19)
InChIKeyKNRXSWIYCQTMDR-UHFFFAOYSA-N
MW296.25 g/mol
LogP3.08
Rot. Bonds2

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

5-[2-methoxy-4-(trifluoromethyl)imidazol-1-yl]-7-methyl-1H-indazole (PubChem CID 172752345) has the molecular formula C13H11F3N4O and a molecular weight of 296.25 g/mol. Its IUPAC name is 5-[2-methoxy-4-(trifluoromethyl)imidazol-1-yl]-7-methyl-1H-indazole.

Molecular Properties

Compound Name5-[2-methoxy-4-(trifluoromethyl)imidazol-1-yl]-7-methyl-1H-indazole
PubChem CID172752345
Molecular FormulaC13H11F3N4O
Molecular Weight296.25 g/mol
Exact Mass296.09
IUPAC Name5-[2-methoxy-4-(trifluoromethyl)imidazol-1-yl]-7-methyl-1H-indazole
SMILESCOc1nc(C(F)(F)F)cn1-c1cc(C)c2[nH]ncc2c1
InChIInChI=1S/C13H11F3N4O/c1-7-3-9(4-8-5-17-19-11(7)8)20-6-10(13(14,15)16)18-12(20)21-2/h3-6H,1-2H3,(H,17,19)
InChIKeyKNRXSWIYCQTMDR-UHFFFAOYSA-N
XLogP3.08
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.25
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-[(1S)-1-fluoroethyl]-4-(trifluoromethyl)imidazol-1-yl]-7-methyl-1H-indazole
CID 175138137
5-[2-butan-2-yl-4-(trifluoromethyl)imidazol-1-yl]-7-chloro-1H-indazole
CID 175134422
7-methyl-3-(7-methyl-1H-indazol-5-yl)-2-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 122654595
5-bromo-3-(7-methyl-1H-indazol-5-yl)-2-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 122654355
7-chloro-5-[2-(1,1-difluoroethyl)-4-methylimidazol-1-yl]-1H-indazole
CID 172815818
2-(difluoromethyl)-8-(7-methyl-1H-indazol-5-yl)-7-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 134452890
2-methyl-1-(4-methylphenyl)-4-(trifluoromethyl)imidazole
CID 67818870
5-[4-tert-butyl-2-(trifluoromethyl)imidazol-1-yl]-1H-indazole
CID 172744174
7-isocyano-8-(7-methyl-1H-indazol-5-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 140866015
7-(7-methyl-1H-indazol-5-yl)-2-propan-2-yl-6-(trifluoromethyl)pyrazolo[1,5-a]pyridine
CID 134457801
7-methyl-1H-indazole-5-carbonitrile
CID 97301699
5-ethenyl-7-methyl-1H-indazole
CID 142337605

Frequently Asked Questions

What is the IUPAC name of 5-[2-methoxy-4-(trifluoromethyl)imidazol-1-yl]-7-methyl-1H-indazole?
The IUPAC name of 5-[2-methoxy-4-(trifluoromethyl)imidazol-1-yl]-7-methyl-1H-indazole (CID 172752345) is 5-[2-methoxy-4-(trifluoromethyl)imidazol-1-yl]-7-methyl-1H-indazole.
What is the SMILES notation for 5-[2-methoxy-4-(trifluoromethyl)imidazol-1-yl]-7-methyl-1H-indazole?
The canonical SMILES for 5-[2-methoxy-4-(trifluoromethyl)imidazol-1-yl]-7-methyl-1H-indazole is COc1nc(C(F)(F)F)cn1-c1cc(C)c2[nH]ncc2c1.
What is the InChIKey of 5-[2-methoxy-4-(trifluoromethyl)imidazol-1-yl]-7-methyl-1H-indazole?
The InChIKey is KNRXSWIYCQTMDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N4O/c1-7-3-9(4-8-5-17-19-11(7)8)20-6-10(13(14,15)16)18-12(20)21-2/h3-6H,1-2H3,(H,17,19).
What are the key properties of 5-[2-methoxy-4-(trifluoromethyl)imidazol-1-yl]-7-methyl-1H-indazole?
5-[2-methoxy-4-(trifluoromethyl)imidazol-1-yl]-7-methyl-1H-indazole has a molecular weight of 296.25 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-methoxy-4-(trifluoromethyl)imidazol-1-yl]-7-methyl-1H-indazole is sourced from PubChem (CID 172752345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).