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

C19H18FN3O — CID 156634965

IUPAC3-[[3-(2-fluorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]methyl]phenol
SMILESCN1Cc2nn(Cc3cccc(O)c3)c(-c3ccccc3F)c2C1
InChIInChI=1S/C19H18FN3O/c1-22-11-16-18(12-22)21-23(10-13-5-4-6-14(24)9-13)19(16)15-7-2-3-8-17(15)20/h2-9,24H,10-12H2,1H3
InChIKeyWFRWOGOHGWIWEF-UHFFFAOYSA-N
MW323.37 g/mol
LogP3.39
Rot. Bonds3

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

3-[[3-(2-fluorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]methyl]phenol (PubChem CID 156634965) has the molecular formula C19H18FN3O and a molecular weight of 323.37 g/mol. Its IUPAC name is 3-[[3-(2-fluorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]methyl]phenol.

Molecular Properties

Compound Name3-[[3-(2-fluorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]methyl]phenol
PubChem CID156634965
Molecular FormulaC19H18FN3O
Molecular Weight323.37 g/mol
Exact Mass323.14
IUPAC Name3-[[3-(2-fluorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]methyl]phenol
SMILESCN1Cc2nn(Cc3cccc(O)c3)c(-c3ccccc3F)c2C1
InChIInChI=1S/C19H18FN3O/c1-22-11-16-18(12-22)21-23(10-13-5-4-6-14(24)9-13)19(16)15-7-2-3-8-17(15)20/h2-9,24H,10-12H2,1H3
InChIKeyWFRWOGOHGWIWEF-UHFFFAOYSA-N
XLogP3.39
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-(2-fluorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]methyl]phenol?
The IUPAC name of 3-[[3-(2-fluorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]methyl]phenol (CID 156634965) is 3-[[3-(2-fluorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]methyl]phenol.
What is the SMILES notation for 3-[[3-(2-fluorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]methyl]phenol?
The canonical SMILES for 3-[[3-(2-fluorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]methyl]phenol is CN1Cc2nn(Cc3cccc(O)c3)c(-c3ccccc3F)c2C1.
What is the InChIKey of 3-[[3-(2-fluorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]methyl]phenol?
The InChIKey is WFRWOGOHGWIWEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O/c1-22-11-16-18(12-22)21-23(10-13-5-4-6-14(24)9-13)19(16)15-7-2-3-8-17(15)20/h2-9,24H,10-12H2,1H3.
What are the key properties of 3-[[3-(2-fluorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]methyl]phenol?
3-[[3-(2-fluorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]methyl]phenol has a molecular weight of 323.37 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(2-fluorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]methyl]phenol is sourced from PubChem (CID 156634965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).