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

C10H11F2N5O — CID 118614102

IUPAC3-(difluoromethyl)-5-hydroxy-2-(1-methylpyrazol-3-yl)-4,6-dihydropyrrolo[3,4-d]imidazole
SMILESCn1ccc(-c2nc3c(n2C(F)F)CN(O)C3)n1
InChIInChI=1S/C10H11F2N5O/c1-15-3-2-6(14-15)9-13-7-4-16(18)5-8(7)17(9)10(11)12/h2-3,10,18H,4-5H2,1H3
InChIKeyIXXGBBXIXXCVBD-UHFFFAOYSA-N
MW255.23 g/mol
LogP1.38
Rot. Bonds2

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

3-(difluoromethyl)-5-hydroxy-2-(1-methylpyrazol-3-yl)-4,6-dihydropyrrolo[3,4-d]imidazole (PubChem CID 118614102) has the molecular formula C10H11F2N5O and a molecular weight of 255.23 g/mol. Its IUPAC name is 3-(difluoromethyl)-5-hydroxy-2-(1-methylpyrazol-3-yl)-4,6-dihydropyrrolo[3,4-d]imidazole.

Molecular Properties

Compound Name3-(difluoromethyl)-5-hydroxy-2-(1-methylpyrazol-3-yl)-4,6-dihydropyrrolo[3,4-d]imidazole
PubChem CID118614102
Molecular FormulaC10H11F2N5O
Molecular Weight255.23 g/mol
Exact Mass255.09
IUPAC Name3-(difluoromethyl)-5-hydroxy-2-(1-methylpyrazol-3-yl)-4,6-dihydropyrrolo[3,4-d]imidazole
SMILESCn1ccc(-c2nc3c(n2C(F)F)CN(O)C3)n1
InChIInChI=1S/C10H11F2N5O/c1-15-3-2-6(14-15)9-13-7-4-16(18)5-8(7)17(9)10(11)12/h2-3,10,18H,4-5H2,1H3
InChIKeyIXXGBBXIXXCVBD-UHFFFAOYSA-N
XLogP1.38
TPSA59.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.23
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(Difluoromethyl)-2-(1,5-dimethylpyrazol-3-yl)-5-hydroxy-4,6-dihydropyrrolo[3,4-d]imidazole
CID 118614103
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
2-[1-(Difluoromethyl)pyrazol-3-yl]-3-ethyl-5-hydroxy-4,6-dihydropyrrolo[3,4-d]imidazole
CID 118614266
2-[1-(Difluoromethyl)-5-methylpyrazol-3-yl]-5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole
CID 118614267
2-[2-(Difluoromethyl)pyrazol-3-yl]-3-ethyl-5-hydroxy-4,6-dihydropyrrolo[3,4-d]imidazole
CID 118614276

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-5-hydroxy-2-(1-methylpyrazol-3-yl)-4,6-dihydropyrrolo[3,4-d]imidazole?
The IUPAC name of 3-(difluoromethyl)-5-hydroxy-2-(1-methylpyrazol-3-yl)-4,6-dihydropyrrolo[3,4-d]imidazole (CID 118614102) is 3-(difluoromethyl)-5-hydroxy-2-(1-methylpyrazol-3-yl)-4,6-dihydropyrrolo[3,4-d]imidazole.
What is the SMILES notation for 3-(difluoromethyl)-5-hydroxy-2-(1-methylpyrazol-3-yl)-4,6-dihydropyrrolo[3,4-d]imidazole?
The canonical SMILES for 3-(difluoromethyl)-5-hydroxy-2-(1-methylpyrazol-3-yl)-4,6-dihydropyrrolo[3,4-d]imidazole is Cn1ccc(-c2nc3c(n2C(F)F)CN(O)C3)n1.
What is the InChIKey of 3-(difluoromethyl)-5-hydroxy-2-(1-methylpyrazol-3-yl)-4,6-dihydropyrrolo[3,4-d]imidazole?
The InChIKey is IXXGBBXIXXCVBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2N5O/c1-15-3-2-6(14-15)9-13-7-4-16(18)5-8(7)17(9)10(11)12/h2-3,10,18H,4-5H2,1H3.
What are the key properties of 3-(difluoromethyl)-5-hydroxy-2-(1-methylpyrazol-3-yl)-4,6-dihydropyrrolo[3,4-d]imidazole?
3-(difluoromethyl)-5-hydroxy-2-(1-methylpyrazol-3-yl)-4,6-dihydropyrrolo[3,4-d]imidazole has a molecular weight of 255.23 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-5-hydroxy-2-(1-methylpyrazol-3-yl)-4,6-dihydropyrrolo[3,4-d]imidazole is sourced from PubChem (CID 118614102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).