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

C19H19N3O2 — CID 156634986

IUPAC3-[[3-(3-hydroxyphenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]methyl]phenol
SMILESCN1Cc2nn(Cc3cccc(O)c3)c(-c3cccc(O)c3)c2C1
InChIInChI=1S/C19H19N3O2/c1-21-11-17-18(12-21)20-22(10-13-4-2-6-15(23)8-13)19(17)14-5-3-7-16(24)9-14/h2-9,23-24H,10-12H2,1H3
InChIKeyJXGYQEKMPXJGMF-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.95
Rot. Bonds3

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

3-[[3-(3-hydroxyphenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]methyl]phenol (PubChem CID 156634986) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 3-[[3-(3-hydroxyphenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]methyl]phenol.

Molecular Properties

Compound Name3-[[3-(3-hydroxyphenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]methyl]phenol
PubChem CID156634986
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name3-[[3-(3-hydroxyphenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]methyl]phenol
SMILESCN1Cc2nn(Cc3cccc(O)c3)c(-c3cccc(O)c3)c2C1
InChIInChI=1S/C19H19N3O2/c1-21-11-17-18(12-21)20-22(10-13-4-2-6-15(23)8-13)19(17)14-5-3-7-16(24)9-14/h2-9,23-24H,10-12H2,1H3
InChIKeyJXGYQEKMPXJGMF-UHFFFAOYSA-N
XLogP2.95
TPSA61.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(Dimethylamino)ethyl]-4-(1,3,5-trimethylpyrazol-4-yl)phenol
CID 25192947
4-[2-(6-Methyl-pyridin-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-phenol
CID 9838979
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
4-[(4S)-2-(6-ethyl-2-pyridinyl)-4,5,5-trimethyl-4,6-dihydropyrrolo[1,2-b]pyrazol-3-yl]phenol
CID 145980003
2-[3-(4-Hydroxyphenyl)-4,5,5-trimethyl-4,6-dihydropyrrolo[1,2-b]pyrazol-2-yl]-6-methylbenzonitrile
CID 145980051
4-[4,5,5-Trimethyl-2-(6-methyl-2-pyridinyl)-4,6-dihydropyrrolo[1,2-b]pyrazol-3-yl]phenol
CID 145984166
4-[(4S)-4,5,5-trimethyl-2-(6-methyl-2-pyridinyl)-4,6-dihydropyrrolo[1,2-b]pyrazol-3-yl]phenol
CID 145985622
4-[5,5-Dimethyl-2-(6-methyl-2-pyridinyl)-4,6-dihydropyrrolo[1,2-b]pyrazol-3-yl]phenol
CID 145987145
4-[2-(6-Ethyl-2-pyridinyl)-4,5,5-trimethyl-4,6-dihydropyrrolo[1,2-b]pyrazol-3-yl]phenol
CID 145990274
4-[(4R)-4,5,5-trimethyl-2-(6-methyl-2-pyridinyl)-4,6-dihydropyrrolo[1,2-b]pyrazol-3-yl]phenol
CID 145992193

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(3-hydroxyphenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]methyl]phenol?
The IUPAC name of 3-[[3-(3-hydroxyphenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]methyl]phenol (CID 156634986) is 3-[[3-(3-hydroxyphenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]methyl]phenol.
What is the SMILES notation for 3-[[3-(3-hydroxyphenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]methyl]phenol?
The canonical SMILES for 3-[[3-(3-hydroxyphenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]methyl]phenol is CN1Cc2nn(Cc3cccc(O)c3)c(-c3cccc(O)c3)c2C1.
What is the InChIKey of 3-[[3-(3-hydroxyphenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]methyl]phenol?
The InChIKey is JXGYQEKMPXJGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-21-11-17-18(12-21)20-22(10-13-4-2-6-15(23)8-13)19(17)14-5-3-7-16(24)9-14/h2-9,23-24H,10-12H2,1H3.
What are the key properties of 3-[[3-(3-hydroxyphenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]methyl]phenol?
3-[[3-(3-hydroxyphenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]methyl]phenol has a molecular weight of 321.38 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(3-hydroxyphenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]methyl]phenol is sourced from PubChem (CID 156634986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).