5-hydroxy-3-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4,6-dihydropyrrolo[3,4-d]imidazole

C11H12F3N5O — CID 118614199

IUPAC5-hydroxy-3-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4,6-dihydropyrrolo[3,4-d]imidazole
SMILESCn1nc(C(F)(F)F)cc1-c1nc2c(n1C)CN(O)C2
InChIInChI=1S/C11H12F3N5O/c1-17-8-5-19(20)4-6(8)15-10(17)7-3-9(11(12,13)14)16-18(7)2/h3,20H,4-5H2,1-2H3
InChIKeyGKVLAXZIVFHQJU-UHFFFAOYSA-N
MW287.25 g/mol
LogP1.54
Rot. Bonds1

About 5-hydroxy-3-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4,6-dihydropyrrolo[3,4-d]imidazole

5-hydroxy-3-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4,6-dihydropyrrolo[3,4-d]imidazole (PubChem CID 118614199) has the molecular formula C11H12F3N5O and a molecular weight of 287.25 g/mol. Its IUPAC name is 5-hydroxy-3-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4,6-dihydropyrrolo[3,4-d]imidazole.

Molecular Properties

Compound Name5-hydroxy-3-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4,6-dihydropyrrolo[3,4-d]imidazole
PubChem CID118614199
Molecular FormulaC11H12F3N5O
Molecular Weight287.25 g/mol
Exact Mass287.10
IUPAC Name5-hydroxy-3-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4,6-dihydropyrrolo[3,4-d]imidazole
SMILESCn1nc(C(F)(F)F)cc1-c1nc2c(n1C)CN(O)C2
InChIInChI=1S/C11H12F3N5O/c1-17-8-5-19(20)4-6(8)15-10(17)7-3-9(11(12,13)14)16-18(7)2/h3,20H,4-5H2,1-2H3
InChIKeyGKVLAXZIVFHQJU-UHFFFAOYSA-N
XLogP1.54
TPSA59.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.25
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(Difluoromethyl)-5-hydroxy-2-(1-methylpyrazol-3-yl)-4,6-dihydropyrrolo[3,4-d]imidazole
CID 118614102
3-(Difluoromethyl)-2-(1,5-dimethylpyrazol-3-yl)-5-hydroxy-4,6-dihydropyrrolo[3,4-d]imidazole
CID 118614103
5-hydroxy-3-methyl-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-4,6-dihydropyrrolo[3,4-d]imidazole
CID 118614127
2-[1-(Difluoromethyl)pyrazol-3-yl]-5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole
CID 118614151
2-[2-(Difluoromethyl)-5-methylpyrazol-3-yl]-5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole
CID 118614153
3-Ethyl-5-hydroxy-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4,6-dihydropyrrolo[3,4-d]imidazole
CID 118614157
2-[2-(Difluoromethyl)pyrazol-3-yl]-5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole
CID 118614186
2-[1-(Difluoromethyl)-5-methylpyrazol-3-yl]-3-ethyl-5-hydroxy-4,6-dihydropyrrolo[3,4-d]imidazole
CID 118614193
2-[2-(Difluoromethyl)-5-methylpyrazol-3-yl]-3-ethyl-5-hydroxy-4,6-dihydropyrrolo[3,4-d]imidazole
CID 118614196
3-Ethyl-5-hydroxy-2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-4,6-dihydropyrrolo[3,4-d]imidazole
CID 118614198
3-ethyl-5-hydroxy-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-4,6-dihydropyrrolo[3,4-d]imidazole
CID 118614232
2-[1-(Difluoromethyl)pyrazol-3-yl]-3-ethyl-5-hydroxy-4,6-dihydropyrrolo[3,4-d]imidazole
CID 118614266

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-3-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4,6-dihydropyrrolo[3,4-d]imidazole?
The IUPAC name of 5-hydroxy-3-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4,6-dihydropyrrolo[3,4-d]imidazole (CID 118614199) is 5-hydroxy-3-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4,6-dihydropyrrolo[3,4-d]imidazole.
What is the SMILES notation for 5-hydroxy-3-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4,6-dihydropyrrolo[3,4-d]imidazole?
The canonical SMILES for 5-hydroxy-3-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4,6-dihydropyrrolo[3,4-d]imidazole is Cn1nc(C(F)(F)F)cc1-c1nc2c(n1C)CN(O)C2.
What is the InChIKey of 5-hydroxy-3-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4,6-dihydropyrrolo[3,4-d]imidazole?
The InChIKey is GKVLAXZIVFHQJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N5O/c1-17-8-5-19(20)4-6(8)15-10(17)7-3-9(11(12,13)14)16-18(7)2/h3,20H,4-5H2,1-2H3.
What are the key properties of 5-hydroxy-3-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4,6-dihydropyrrolo[3,4-d]imidazole?
5-hydroxy-3-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4,6-dihydropyrrolo[3,4-d]imidazole has a molecular weight of 287.25 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-3-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4,6-dihydropyrrolo[3,4-d]imidazole is sourced from PubChem (CID 118614199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).