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

C12H15F2N5O — CID 118614193

IUPAC2-[1-(difluoromethyl)-5-methylpyrazol-3-yl]-3-ethyl-5-hydroxy-4,6-dihydropyrrolo[3,4-d]imidazole
SMILESCCn1c(-c2cc(C)n(C(F)F)n2)nc2c1CN(O)C2
InChIInChI=1S/C12H15F2N5O/c1-3-18-10-6-17(20)5-9(10)15-11(18)8-4-7(2)19(16-8)12(13)14/h4,12,20H,3,5-6H2,1-2H3
InChIKeyBHEFBTNVFQTVFM-UHFFFAOYSA-N
MW283.28 g/mol
LogP2.17
Rot. Bonds3

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

2-[1-(difluoromethyl)-5-methylpyrazol-3-yl]-3-ethyl-5-hydroxy-4,6-dihydropyrrolo[3,4-d]imidazole (PubChem CID 118614193) has the molecular formula C12H15F2N5O and a molecular weight of 283.28 g/mol. Its IUPAC name is 2-[1-(difluoromethyl)-5-methylpyrazol-3-yl]-3-ethyl-5-hydroxy-4,6-dihydropyrrolo[3,4-d]imidazole.

Molecular Properties

Compound Name2-[1-(difluoromethyl)-5-methylpyrazol-3-yl]-3-ethyl-5-hydroxy-4,6-dihydropyrrolo[3,4-d]imidazole
PubChem CID118614193
Molecular FormulaC12H15F2N5O
Molecular Weight283.28 g/mol
Exact Mass283.12
IUPAC Name2-[1-(difluoromethyl)-5-methylpyrazol-3-yl]-3-ethyl-5-hydroxy-4,6-dihydropyrrolo[3,4-d]imidazole
SMILESCCn1c(-c2cc(C)n(C(F)F)n2)nc2c1CN(O)C2
InChIInChI=1S/C12H15F2N5O/c1-3-18-10-6-17(20)5-9(10)15-11(18)8-4-7(2)19(16-8)12(13)14/h4,12,20H,3,5-6H2,1-2H3
InChIKeyBHEFBTNVFQTVFM-UHFFFAOYSA-N
XLogP2.17
TPSA59.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 52.17
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
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-[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 2-[1-(difluoromethyl)-5-methylpyrazol-3-yl]-3-ethyl-5-hydroxy-4,6-dihydropyrrolo[3,4-d]imidazole?
The IUPAC name of 2-[1-(difluoromethyl)-5-methylpyrazol-3-yl]-3-ethyl-5-hydroxy-4,6-dihydropyrrolo[3,4-d]imidazole (CID 118614193) is 2-[1-(difluoromethyl)-5-methylpyrazol-3-yl]-3-ethyl-5-hydroxy-4,6-dihydropyrrolo[3,4-d]imidazole.
What is the SMILES notation for 2-[1-(difluoromethyl)-5-methylpyrazol-3-yl]-3-ethyl-5-hydroxy-4,6-dihydropyrrolo[3,4-d]imidazole?
The canonical SMILES for 2-[1-(difluoromethyl)-5-methylpyrazol-3-yl]-3-ethyl-5-hydroxy-4,6-dihydropyrrolo[3,4-d]imidazole is CCn1c(-c2cc(C)n(C(F)F)n2)nc2c1CN(O)C2.
What is the InChIKey of 2-[1-(difluoromethyl)-5-methylpyrazol-3-yl]-3-ethyl-5-hydroxy-4,6-dihydropyrrolo[3,4-d]imidazole?
The InChIKey is BHEFBTNVFQTVFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N5O/c1-3-18-10-6-17(20)5-9(10)15-11(18)8-4-7(2)19(16-8)12(13)14/h4,12,20H,3,5-6H2,1-2H3.
What are the key properties of 2-[1-(difluoromethyl)-5-methylpyrazol-3-yl]-3-ethyl-5-hydroxy-4,6-dihydropyrrolo[3,4-d]imidazole?
2-[1-(difluoromethyl)-5-methylpyrazol-3-yl]-3-ethyl-5-hydroxy-4,6-dihydropyrrolo[3,4-d]imidazole has a molecular weight of 283.28 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(difluoromethyl)-5-methylpyrazol-3-yl]-3-ethyl-5-hydroxy-4,6-dihydropyrrolo[3,4-d]imidazole is sourced from PubChem (CID 118614193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).