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

C11H12F3N5O — CID 118614232

IUPAC3-ethyl-5-hydroxy-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-4,6-dihydropyrrolo[3,4-d]imidazole
SMILESCCn1c(-c2cc(C(F)(F)F)[nH]n2)nc2c1CN(O)C2
InChIInChI=1S/C11H12F3N5O/c1-2-19-8-5-18(20)4-7(8)15-10(19)6-3-9(17-16-6)11(12,13)14/h3,20H,2,4-5H2,1H3,(H,16,17)
InChIKeySWYXNQLOYXBUHC-UHFFFAOYSA-N
MW287.25 g/mol
LogP2.02
Rot. Bonds2

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

3-ethyl-5-hydroxy-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-4,6-dihydropyrrolo[3,4-d]imidazole (PubChem CID 118614232) has the molecular formula C11H12F3N5O and a molecular weight of 287.25 g/mol. Its IUPAC name is 3-ethyl-5-hydroxy-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-4,6-dihydropyrrolo[3,4-d]imidazole.

Molecular Properties

Compound Name3-ethyl-5-hydroxy-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-4,6-dihydropyrrolo[3,4-d]imidazole
PubChem CID118614232
Molecular FormulaC11H12F3N5O
Molecular Weight287.25 g/mol
Exact Mass287.10
IUPAC Name3-ethyl-5-hydroxy-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-4,6-dihydropyrrolo[3,4-d]imidazole
SMILESCCn1c(-c2cc(C(F)(F)F)[nH]n2)nc2c1CN(O)C2
InChIInChI=1S/C11H12F3N5O/c1-2-19-8-5-18(20)4-7(8)15-10(19)6-3-9(17-16-6)11(12,13)14/h3,20H,2,4-5H2,1H3,(H,16,17)
InChIKeySWYXNQLOYXBUHC-UHFFFAOYSA-N
XLogP2.02
TPSA69.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.25
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]imidazole
CID 58898667
5-(1-Isopropyl-1H-imidazole-2-yl)-3-(trifluoromethyl)-1H-pyrazole
CID 102456257
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-[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
5-Hydroxy-3-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4,6-dihydropyrrolo[3,4-d]imidazole
CID 118614199
2-[1-(Difluoromethyl)-5-methylpyrazol-3-yl]-5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole
CID 118614267

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-hydroxy-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-4,6-dihydropyrrolo[3,4-d]imidazole?
The IUPAC name of 3-ethyl-5-hydroxy-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-4,6-dihydropyrrolo[3,4-d]imidazole (CID 118614232) is 3-ethyl-5-hydroxy-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-4,6-dihydropyrrolo[3,4-d]imidazole.
What is the SMILES notation for 3-ethyl-5-hydroxy-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-4,6-dihydropyrrolo[3,4-d]imidazole?
The canonical SMILES for 3-ethyl-5-hydroxy-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-4,6-dihydropyrrolo[3,4-d]imidazole is CCn1c(-c2cc(C(F)(F)F)[nH]n2)nc2c1CN(O)C2.
What is the InChIKey of 3-ethyl-5-hydroxy-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-4,6-dihydropyrrolo[3,4-d]imidazole?
The InChIKey is SWYXNQLOYXBUHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N5O/c1-2-19-8-5-18(20)4-7(8)15-10(19)6-3-9(17-16-6)11(12,13)14/h3,20H,2,4-5H2,1H3,(H,16,17).
What are the key properties of 3-ethyl-5-hydroxy-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-4,6-dihydropyrrolo[3,4-d]imidazole?
3-ethyl-5-hydroxy-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-4,6-dihydropyrrolo[3,4-d]imidazole has a molecular weight of 287.25 g/mol, XLogP of 2.02, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-hydroxy-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-4,6-dihydropyrrolo[3,4-d]imidazole is sourced from PubChem (CID 118614232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).