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

C10H10F3N5O — CID 118614127

IUPAC5-hydroxy-3-methyl-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-4,6-dihydropyrrolo[3,4-d]imidazole
SMILESCn1c(-c2cc(C(F)(F)F)[nH]n2)nc2c1CN(O)C2
InChIInChI=1S/C10H10F3N5O/c1-17-7-4-18(19)3-6(7)14-9(17)5-2-8(16-15-5)10(11,12)13/h2,19H,3-4H2,1H3,(H,15,16)
InChIKeyLNDNDDIEWZZAEL-UHFFFAOYSA-N
MW273.22 g/mol
LogP1.53
Rot. Bonds1

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

5-hydroxy-3-methyl-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-4,6-dihydropyrrolo[3,4-d]imidazole (PubChem CID 118614127) has the molecular formula C10H10F3N5O and a molecular weight of 273.22 g/mol. Its IUPAC name is 5-hydroxy-3-methyl-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-4,6-dihydropyrrolo[3,4-d]imidazole.

Molecular Properties

Compound Name5-hydroxy-3-methyl-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-4,6-dihydropyrrolo[3,4-d]imidazole
PubChem CID118614127
Molecular FormulaC10H10F3N5O
Molecular Weight273.22 g/mol
Exact Mass273.08
IUPAC Name5-hydroxy-3-methyl-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-4,6-dihydropyrrolo[3,4-d]imidazole
SMILESCn1c(-c2cc(C(F)(F)F)[nH]n2)nc2c1CN(O)C2
InChIInChI=1S/C10H10F3N5O/c1-17-7-4-18(19)3-6(7)14-9(17)5-2-8(16-15-5)10(11,12)13/h2,19H,3-4H2,1H3,(H,15,16)
InChIKeyLNDNDDIEWZZAEL-UHFFFAOYSA-N
XLogP1.53
TPSA69.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.22
LogP ≤ 51.53
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
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
3-ethyl-5-hydroxy-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-4,6-dihydropyrrolo[3,4-d]imidazole
CID 118614232
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 5-hydroxy-3-methyl-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-4,6-dihydropyrrolo[3,4-d]imidazole?
The IUPAC name of 5-hydroxy-3-methyl-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-4,6-dihydropyrrolo[3,4-d]imidazole (CID 118614127) is 5-hydroxy-3-methyl-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-4,6-dihydropyrrolo[3,4-d]imidazole.
What is the SMILES notation for 5-hydroxy-3-methyl-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-4,6-dihydropyrrolo[3,4-d]imidazole?
The canonical SMILES for 5-hydroxy-3-methyl-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-4,6-dihydropyrrolo[3,4-d]imidazole is Cn1c(-c2cc(C(F)(F)F)[nH]n2)nc2c1CN(O)C2.
What is the InChIKey of 5-hydroxy-3-methyl-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-4,6-dihydropyrrolo[3,4-d]imidazole?
The InChIKey is LNDNDDIEWZZAEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N5O/c1-17-7-4-18(19)3-6(7)14-9(17)5-2-8(16-15-5)10(11,12)13/h2,19H,3-4H2,1H3,(H,15,16).
What are the key properties of 5-hydroxy-3-methyl-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-4,6-dihydropyrrolo[3,4-d]imidazole?
5-hydroxy-3-methyl-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-4,6-dihydropyrrolo[3,4-d]imidazole has a molecular weight of 273.22 g/mol, XLogP of 1.53, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-3-methyl-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-4,6-dihydropyrrolo[3,4-d]imidazole is sourced from PubChem (CID 118614127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).