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

C19H18ClN3O — CID 156634968

IUPAC3-[[3-(2-chlorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]methyl]phenol
SMILESCN1Cc2nn(Cc3cccc(O)c3)c(-c3ccccc3Cl)c2C1
InChIInChI=1S/C19H18ClN3O/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
InChIKeyXJVXZWRORYUCAH-UHFFFAOYSA-N
MW339.83 g/mol
LogP3.90
Rot. Bonds3

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

3-[[3-(2-chlorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]methyl]phenol (PubChem CID 156634968) has the molecular formula C19H18ClN3O and a molecular weight of 339.83 g/mol. Its IUPAC name is 3-[[3-(2-chlorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]methyl]phenol.

Molecular Properties

Compound Name3-[[3-(2-chlorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]methyl]phenol
PubChem CID156634968
Molecular FormulaC19H18ClN3O
Molecular Weight339.83 g/mol
Exact Mass339.11
IUPAC Name3-[[3-(2-chlorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]methyl]phenol
SMILESCN1Cc2nn(Cc3cccc(O)c3)c(-c3ccccc3Cl)c2C1
InChIInChI=1S/C19H18ClN3O/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
InChIKeyXJVXZWRORYUCAH-UHFFFAOYSA-N
XLogP3.90
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.83
LogP ≤ 53.90
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-[[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-[[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
5-[[4-chloro-N-methyl-3-(trifluoromethyl)anilino]methyl]-2-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenol
CID 155402304
3-Bromo-5-[[3-(2-fluorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]methyl]phenol
CID 155591343
3-(3,6-dihydro-2H-pyran-4-yl)-5-[[3-(2-fluorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]methyl]phenol
CID 155591344
3-[[3-(2-fluorophenyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-2-yl]methyl]phenol
CID 156634969

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(2-chlorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]methyl]phenol?
The IUPAC name of 3-[[3-(2-chlorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]methyl]phenol (CID 156634968) is 3-[[3-(2-chlorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]methyl]phenol.
What is the SMILES notation for 3-[[3-(2-chlorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]methyl]phenol?
The canonical SMILES for 3-[[3-(2-chlorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]methyl]phenol is CN1Cc2nn(Cc3cccc(O)c3)c(-c3ccccc3Cl)c2C1.
What is the InChIKey of 3-[[3-(2-chlorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]methyl]phenol?
The InChIKey is XJVXZWRORYUCAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O/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-chlorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]methyl]phenol?
3-[[3-(2-chlorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]methyl]phenol has a molecular weight of 339.83 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(2-chlorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]methyl]phenol is sourced from PubChem (CID 156634968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).