3-(difluoromethyl)-2-(1,5-dimethylpyrazol-3-yl)-5-hydroxy-4,6-dihydropyrrolo[3,4-d]imidazole

C11H13F2N5O — CID 118614103

IUPAC3-(difluoromethyl)-2-(1,5-dimethylpyrazol-3-yl)-5-hydroxy-4,6-dihydropyrrolo[3,4-d]imidazole
SMILESCc1cc(-c2nc3c(n2C(F)F)CN(O)C3)nn1C
InChIInChI=1S/C11H13F2N5O/c1-6-3-7(15-16(6)2)10-14-8-4-17(19)5-9(8)18(10)11(12)13/h3,11,19H,4-5H2,1-2H3
InChIKeySYJLTQDIRPETFN-UHFFFAOYSA-N
MW269.25 g/mol
LogP1.69
Rot. Bonds2

About 3-(difluoromethyl)-2-(1,5-dimethylpyrazol-3-yl)-5-hydroxy-4,6-dihydropyrrolo[3,4-d]imidazole

3-(difluoromethyl)-2-(1,5-dimethylpyrazol-3-yl)-5-hydroxy-4,6-dihydropyrrolo[3,4-d]imidazole (PubChem CID 118614103) has the molecular formula C11H13F2N5O and a molecular weight of 269.25 g/mol. Its IUPAC name is 3-(difluoromethyl)-2-(1,5-dimethylpyrazol-3-yl)-5-hydroxy-4,6-dihydropyrrolo[3,4-d]imidazole.

Molecular Properties

Compound Name3-(difluoromethyl)-2-(1,5-dimethylpyrazol-3-yl)-5-hydroxy-4,6-dihydropyrrolo[3,4-d]imidazole
PubChem CID118614103
Molecular FormulaC11H13F2N5O
Molecular Weight269.25 g/mol
Exact Mass269.11
IUPAC Name3-(difluoromethyl)-2-(1,5-dimethylpyrazol-3-yl)-5-hydroxy-4,6-dihydropyrrolo[3,4-d]imidazole
SMILESCc1cc(-c2nc3c(n2C(F)F)CN(O)C3)nn1C
InChIInChI=1S/C11H13F2N5O/c1-6-3-7(15-16(6)2)10-14-8-4-17(19)5-9(8)18(10)11(12)13/h3,11,19H,4-5H2,1-2H3
InChIKeySYJLTQDIRPETFN-UHFFFAOYSA-N
XLogP1.69
TPSA59.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.25
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,5-dimethyl-1-({5H,6H,7H-pyrrolo[2,1-c][1,2,4]triazol-3-yl}methyl)-1H-pyrazole
CID 137967249
6-(3,5-Dimethylpyrazol-1-yl)-3-(trifluoromethyl)imidazo[2,1-c][1,2,4]triazol-7-ide
CID 22090567
3-(Difluoromethyl)-5-hydroxy-2-(1-methylpyrazol-3-yl)-4,6-dihydropyrrolo[3,4-d]imidazole
CID 118614102
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
5-Hydroxy-3-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4,6-dihydropyrrolo[3,4-d]imidazole
CID 118614199

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-2-(1,5-dimethylpyrazol-3-yl)-5-hydroxy-4,6-dihydropyrrolo[3,4-d]imidazole?
The IUPAC name of 3-(difluoromethyl)-2-(1,5-dimethylpyrazol-3-yl)-5-hydroxy-4,6-dihydropyrrolo[3,4-d]imidazole (CID 118614103) is 3-(difluoromethyl)-2-(1,5-dimethylpyrazol-3-yl)-5-hydroxy-4,6-dihydropyrrolo[3,4-d]imidazole.
What is the SMILES notation for 3-(difluoromethyl)-2-(1,5-dimethylpyrazol-3-yl)-5-hydroxy-4,6-dihydropyrrolo[3,4-d]imidazole?
The canonical SMILES for 3-(difluoromethyl)-2-(1,5-dimethylpyrazol-3-yl)-5-hydroxy-4,6-dihydropyrrolo[3,4-d]imidazole is Cc1cc(-c2nc3c(n2C(F)F)CN(O)C3)nn1C.
What is the InChIKey of 3-(difluoromethyl)-2-(1,5-dimethylpyrazol-3-yl)-5-hydroxy-4,6-dihydropyrrolo[3,4-d]imidazole?
The InChIKey is SYJLTQDIRPETFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N5O/c1-6-3-7(15-16(6)2)10-14-8-4-17(19)5-9(8)18(10)11(12)13/h3,11,19H,4-5H2,1-2H3.
What are the key properties of 3-(difluoromethyl)-2-(1,5-dimethylpyrazol-3-yl)-5-hydroxy-4,6-dihydropyrrolo[3,4-d]imidazole?
3-(difluoromethyl)-2-(1,5-dimethylpyrazol-3-yl)-5-hydroxy-4,6-dihydropyrrolo[3,4-d]imidazole has a molecular weight of 269.25 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-2-(1,5-dimethylpyrazol-3-yl)-5-hydroxy-4,6-dihydropyrrolo[3,4-d]imidazole is sourced from PubChem (CID 118614103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).