2-[(4-methoxyphenyl)methyl]-5-methyl-3-(2-methylphenyl)-4,6-dihydropyrrolo[3,4-c]pyrazole

C21H23N3O — CID 156634982

IUPAC2-[(4-methoxyphenyl)methyl]-5-methyl-3-(2-methylphenyl)-4,6-dihydropyrrolo[3,4-c]pyrazole
SMILESCOc1ccc(Cn2nc3c(c2-c2ccccc2C)CN(C)C3)cc1
InChIInChI=1S/C21H23N3O/c1-15-6-4-5-7-18(15)21-19-13-23(2)14-20(19)22-24(21)12-16-8-10-17(25-3)11-9-16/h4-11H,12-14H2,1-3H3
InChIKeyQZSNKWKHQAXHGA-UHFFFAOYSA-N
MW333.44 g/mol
LogP3.86
Rot. Bonds4

About 2-[(4-methoxyphenyl)methyl]-5-methyl-3-(2-methylphenyl)-4,6-dihydropyrrolo[3,4-c]pyrazole

2-[(4-methoxyphenyl)methyl]-5-methyl-3-(2-methylphenyl)-4,6-dihydropyrrolo[3,4-c]pyrazole (PubChem CID 156634982) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methyl]-5-methyl-3-(2-methylphenyl)-4,6-dihydropyrrolo[3,4-c]pyrazole.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methyl]-5-methyl-3-(2-methylphenyl)-4,6-dihydropyrrolo[3,4-c]pyrazole
PubChem CID156634982
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC Name2-[(4-methoxyphenyl)methyl]-5-methyl-3-(2-methylphenyl)-4,6-dihydropyrrolo[3,4-c]pyrazole
SMILESCOc1ccc(Cn2nc3c(c2-c2ccccc2C)CN(C)C3)cc1
InChIInChI=1S/C21H23N3O/c1-15-6-4-5-7-18(15)21-19-13-23(2)14-20(19)22-24(21)12-16-8-10-17(25-3)11-9-16/h4-11H,12-14H2,1-3H3
InChIKeyQZSNKWKHQAXHGA-UHFFFAOYSA-N
XLogP3.86
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-benzyl-5-methyl-3-(2-methylphenyl)-4,6-dihydropyrrolo[3,4-c]pyrazole;tert-butyl formate
CID 175790363
1-[(4-methoxyphenyl)methyl]-2-(2-methylphenyl)benzimidazole
CID 17000627
2-[(4-methoxyphenyl)methyl]benzotriazole
CID 3828598
2-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)indazole
CID 11645597
5-(2-chlorophenyl)-1-[(4-methoxyphenyl)methyl]tetrazole
CID 23019982
2-chloro-N-[3-[[3-(2-fluorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]methyl]phenyl]-6-methylpyridin-3-amine
CID 155591402
2-[1-[(4-methoxyphenyl)methyl]-4-methylindazol-3-yl]acetaldehyde
CID 89115363
1-[(4-methoxyphenyl)methyl]-4-(2-methylphenyl)piperazine
CID 791315
tert-butyl 2-[(3-methoxycarbonylphenyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylate;tert-butyl 2-[(3-methoxycarbonylphenyl)methyl]-3-(2-methylphenyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylate;bis(methyl 3-[[5-methyl-3-(2-methylphenyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]methyl]benzoate);methyl 3-[[3-(2-methylphenyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-2-yl]methyl]benzoate
CID 167656653
3,5-bis(2-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrazole
CID 19587078
2-[(4-methoxyphenyl)methyl]-4,5-dihydrobenzo[e]indazole
CID 150946226
3-methoxy-1-[(4-methoxyphenyl)methyl]indazole
CID 174608051

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methyl]-5-methyl-3-(2-methylphenyl)-4,6-dihydropyrrolo[3,4-c]pyrazole?
The IUPAC name of 2-[(4-methoxyphenyl)methyl]-5-methyl-3-(2-methylphenyl)-4,6-dihydropyrrolo[3,4-c]pyrazole (CID 156634982) is 2-[(4-methoxyphenyl)methyl]-5-methyl-3-(2-methylphenyl)-4,6-dihydropyrrolo[3,4-c]pyrazole.
What is the SMILES notation for 2-[(4-methoxyphenyl)methyl]-5-methyl-3-(2-methylphenyl)-4,6-dihydropyrrolo[3,4-c]pyrazole?
The canonical SMILES for 2-[(4-methoxyphenyl)methyl]-5-methyl-3-(2-methylphenyl)-4,6-dihydropyrrolo[3,4-c]pyrazole is COc1ccc(Cn2nc3c(c2-c2ccccc2C)CN(C)C3)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methyl]-5-methyl-3-(2-methylphenyl)-4,6-dihydropyrrolo[3,4-c]pyrazole?
The InChIKey is QZSNKWKHQAXHGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c1-15-6-4-5-7-18(15)21-19-13-23(2)14-20(19)22-24(21)12-16-8-10-17(25-3)11-9-16/h4-11H,12-14H2,1-3H3.
What are the key properties of 2-[(4-methoxyphenyl)methyl]-5-methyl-3-(2-methylphenyl)-4,6-dihydropyrrolo[3,4-c]pyrazole?
2-[(4-methoxyphenyl)methyl]-5-methyl-3-(2-methylphenyl)-4,6-dihydropyrrolo[3,4-c]pyrazole has a molecular weight of 333.44 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methyl]-5-methyl-3-(2-methylphenyl)-4,6-dihydropyrrolo[3,4-c]pyrazole is sourced from PubChem (CID 156634982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).