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

C20H21N3O — CID 156634980

IUPAC3-[[5-methyl-3-(2-methylphenyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]methyl]phenol
SMILESCc1ccccc1-c1c2c(nn1Cc1cccc(O)c1)CN(C)C2
InChIInChI=1S/C20H21N3O/c1-14-6-3-4-9-17(14)20-18-12-22(2)13-19(18)21-23(20)11-15-7-5-8-16(24)10-15/h3-10,24H,11-13H2,1-2H3
InChIKeyQLAKFLCGMLIXMO-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.56
Rot. Bonds3

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

3-[[5-methyl-3-(2-methylphenyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]methyl]phenol (PubChem CID 156634980) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is 3-[[5-methyl-3-(2-methylphenyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]methyl]phenol.

Molecular Properties

Compound Name3-[[5-methyl-3-(2-methylphenyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]methyl]phenol
PubChem CID156634980
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name3-[[5-methyl-3-(2-methylphenyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]methyl]phenol
SMILESCc1ccccc1-c1c2c(nn1Cc1cccc(O)c1)CN(C)C2
InChIInChI=1S/C20H21N3O/c1-14-6-3-4-9-17(14)20-18-12-22(2)13-19(18)21-23(20)11-15-7-5-8-16(24)10-15/h3-10,24H,11-13H2,1-2H3
InChIKeyQLAKFLCGMLIXMO-UHFFFAOYSA-N
XLogP3.56
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[[5-methyl-3-(2-methylphenyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]methyl]phenol with MolForge

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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
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
4-[(4R)-2-(6-ethyl-2-pyridinyl)-4,5,5-trimethyl-4,6-dihydropyrrolo[1,2-b]pyrazol-3-yl]phenol
CID 145992540

Frequently Asked Questions

What is the IUPAC name of 3-[[5-methyl-3-(2-methylphenyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]methyl]phenol?
The IUPAC name of 3-[[5-methyl-3-(2-methylphenyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]methyl]phenol (CID 156634980) is 3-[[5-methyl-3-(2-methylphenyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]methyl]phenol.
What is the SMILES notation for 3-[[5-methyl-3-(2-methylphenyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]methyl]phenol?
The canonical SMILES for 3-[[5-methyl-3-(2-methylphenyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]methyl]phenol is Cc1ccccc1-c1c2c(nn1Cc1cccc(O)c1)CN(C)C2.
What is the InChIKey of 3-[[5-methyl-3-(2-methylphenyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]methyl]phenol?
The InChIKey is QLAKFLCGMLIXMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c1-14-6-3-4-9-17(14)20-18-12-22(2)13-19(18)21-23(20)11-15-7-5-8-16(24)10-15/h3-10,24H,11-13H2,1-2H3.
What are the key properties of 3-[[5-methyl-3-(2-methylphenyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]methyl]phenol?
3-[[5-methyl-3-(2-methylphenyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]methyl]phenol has a molecular weight of 319.41 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-methyl-3-(2-methylphenyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]methyl]phenol is sourced from PubChem (CID 156634980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).