3-bromo-5-[[3-(2-fluorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]methyl]phenol

C19H17BrFN3O — CID 155591343

IUPAC3-bromo-5-[[3-(2-fluorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]methyl]phenol
SMILESCN1Cc2nn(Cc3cc(O)cc(Br)c3)c(-c3ccccc3F)c2C1
InChIInChI=1S/C19H17BrFN3O/c1-23-10-16-18(11-23)22-24(9-12-6-13(20)8-14(25)7-12)19(16)15-4-2-3-5-17(15)21/h2-8,25H,9-11H2,1H3
InChIKeyQCZISSDFCYCXEV-UHFFFAOYSA-N
MW402.27 g/mol
LogP4.15
Rot. Bonds3

About 3-bromo-5-[[3-(2-fluorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]methyl]phenol

3-bromo-5-[[3-(2-fluorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]methyl]phenol (PubChem CID 155591343) has the molecular formula C19H17BrFN3O and a molecular weight of 402.27 g/mol. Its IUPAC name is 3-bromo-5-[[3-(2-fluorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]methyl]phenol.

Molecular Properties

Compound Name3-bromo-5-[[3-(2-fluorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]methyl]phenol
PubChem CID155591343
Molecular FormulaC19H17BrFN3O
Molecular Weight402.27 g/mol
Exact Mass401.05
IUPAC Name3-bromo-5-[[3-(2-fluorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]methyl]phenol
SMILESCN1Cc2nn(Cc3cc(O)cc(Br)c3)c(-c3ccccc3F)c2C1
InChIInChI=1S/C19H17BrFN3O/c1-23-10-16-18(11-23)22-24(9-12-6-13(20)8-14(25)7-12)19(16)15-4-2-3-5-17(15)21/h2-8,25H,9-11H2,1H3
InChIKeyQCZISSDFCYCXEV-UHFFFAOYSA-N
XLogP4.15
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.27
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[3-(2-Fluorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]methyl]phenol
CID 156634965
3-[[3-(2-Chlorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]methyl]phenol
CID 156634968
3-[[5-Methyl-3-(2-methylphenyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]methyl]phenol
CID 156634980
3-[[3-(2-Fluoro-4-methylphenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]methyl]phenol
CID 168294401
3-(2-Fluorophenyl)-2-[(3-methoxyphenyl)methyl]-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole
CID 168296108
3-[[3-(4-Hydroxyphenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]methyl]phenol
CID 156634978
3-[[3-(3-Hydroxyphenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]methyl]phenol
CID 156634986
3-[[3-(3-Chlorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]methyl]phenol
CID 168283285
3-[(5-Methyl-3-phenyl-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl)methyl]phenol
CID 168295215
3-[[3-[2-(Hydroxymethyl)phenyl]-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]methyl]phenol
CID 168295308
2-Bromo-4-[[3-(2-fluorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]methyl]phenol
CID 155591323
2-[(3-Bromo-5-methoxyphenyl)methyl]-3-(2-fluorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole
CID 155591334

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-[[3-(2-fluorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]methyl]phenol?
The IUPAC name of 3-bromo-5-[[3-(2-fluorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]methyl]phenol (CID 155591343) is 3-bromo-5-[[3-(2-fluorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]methyl]phenol.
What is the SMILES notation for 3-bromo-5-[[3-(2-fluorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]methyl]phenol?
The canonical SMILES for 3-bromo-5-[[3-(2-fluorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]methyl]phenol is CN1Cc2nn(Cc3cc(O)cc(Br)c3)c(-c3ccccc3F)c2C1.
What is the InChIKey of 3-bromo-5-[[3-(2-fluorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]methyl]phenol?
The InChIKey is QCZISSDFCYCXEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrFN3O/c1-23-10-16-18(11-23)22-24(9-12-6-13(20)8-14(25)7-12)19(16)15-4-2-3-5-17(15)21/h2-8,25H,9-11H2,1H3.
What are the key properties of 3-bromo-5-[[3-(2-fluorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]methyl]phenol?
3-bromo-5-[[3-(2-fluorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]methyl]phenol has a molecular weight of 402.27 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-[[3-(2-fluorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]methyl]phenol is sourced from PubChem (CID 155591343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).