4-(2,5-dimethoxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-6-one

C20H19N3O4 — CID 20854715

IUPAC4-(2,5-dimethoxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-6-one
SMILESCOc1ccc(-c2n[nH]c3c2C(c2cc(OC)ccc2OC)NC3=O)cc1
InChIInChI=1S/C20H19N3O4/c1-25-12-6-4-11(5-7-12)17-16-18(21-20(24)19(16)23-22-17)14-10-13(26-2)8-9-15(14)27-3/h4-10,18H,1-3H3,(H,21,24)(H,22,23)
InChIKeyAFXULVCHFLJWTA-UHFFFAOYSA-N
MW365.39 g/mol
LogP2.94
Rot. Bonds5

About 4-(2,5-dimethoxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-6-one

4-(2,5-dimethoxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-6-one (PubChem CID 20854715) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is 4-(2,5-dimethoxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-6-one.

Molecular Properties

Compound Name4-(2,5-dimethoxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-6-one
PubChem CID20854715
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC Name4-(2,5-dimethoxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-6-one
SMILESCOc1ccc(-c2n[nH]c3c2C(c2cc(OC)ccc2OC)NC3=O)cc1
InChIInChI=1S/C20H19N3O4/c1-25-12-6-4-11(5-7-12)17-16-18(21-20(24)19(16)23-22-17)14-10-13(26-2)8-9-15(14)27-3/h4-10,18H,1-3H3,(H,21,24)(H,22,23)
InChIKeyAFXULVCHFLJWTA-UHFFFAOYSA-N
XLogP2.94
TPSA85.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(4S)-4-(2,5-dimethoxyphenyl)-3-(4-ethoxyphenyl)-4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-6-one
CID 1489850
(4S)-4-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-6-one
CID 92700888
4-(4-ethoxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-6-one
CID 20854716
3-(3-methoxyphenyl)-4-phenyl-4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-6-one
CID 19616411
(4S)-4-(3-fluorophenyl)-3-(3-methoxyphenyl)-4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-6-one
CID 1489876
(4R)-4-(4-hydroxy-3-methoxyphenyl)-3-(3-methoxyphenyl)-4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-6-one
CID 1489900
4-(2,5-dimethoxyphenyl)-3,5-diphenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 5345148
4-(3-bromophenyl)-3-(3-methoxyphenyl)-4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-6-one
CID 4874495
(4R)-4-(4-tert-butylphenyl)-3-(3-methoxyphenyl)-4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-6-one
CID 51426511
4-(3-ethoxy-4-hydroxyphenyl)-3-(3-methoxyphenyl)-4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-6-one
CID 4874493
(4S)-4-(4-fluorophenyl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-6-one
CID 7306255
4-(2,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-5-[(4-methylphenyl)methyl]-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43858570

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethoxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-6-one?
The IUPAC name of 4-(2,5-dimethoxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-6-one (CID 20854715) is 4-(2,5-dimethoxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-6-one.
What is the SMILES notation for 4-(2,5-dimethoxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-6-one?
The canonical SMILES for 4-(2,5-dimethoxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-6-one is COc1ccc(-c2n[nH]c3c2C(c2cc(OC)ccc2OC)NC3=O)cc1.
What is the InChIKey of 4-(2,5-dimethoxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-6-one?
The InChIKey is AFXULVCHFLJWTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4/c1-25-12-6-4-11(5-7-12)17-16-18(21-20(24)19(16)23-22-17)14-10-13(26-2)8-9-15(14)27-3/h4-10,18H,1-3H3,(H,21,24)(H,22,23).
What are the key properties of 4-(2,5-dimethoxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-6-one?
4-(2,5-dimethoxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-6-one has a molecular weight of 365.39 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethoxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-6-one is sourced from PubChem (CID 20854715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).