3-(4-chlorophenyl)-4-(4-hydroxy-3,5-dimethoxyphenyl)-5-(3-imidazol-1-ylpropyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one

C25H24ClN5O4 — CID 43857545

IUPAC3-(4-chlorophenyl)-4-(4-hydroxy-3,5-dimethoxyphenyl)-5-(3-imidazol-1-ylpropyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
SMILESCOc1cc(C2c3c(-c4ccc(Cl)cc4)n[nH]c3C(=O)N2CCCn2ccnc2)cc(OC)c1O
InChIInChI=1S/C25H24ClN5O4/c1-34-18-12-16(13-19(35-2)24(18)32)23-20-21(15-4-6-17(26)7-5-15)28-29-22(20)25(33)31(23)10-3-9-30-11-8-27-14-30/h4-8,11-14,23,32H,3,9-10H2,1-2H3,(H,28,29)
InChIKeyTWAGXSYNKRHMIC-UHFFFAOYSA-N
MW493.95 g/mol
LogP4.28
Rot. Bonds8

About 3-(4-chlorophenyl)-4-(4-hydroxy-3,5-dimethoxyphenyl)-5-(3-imidazol-1-ylpropyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one

3-(4-chlorophenyl)-4-(4-hydroxy-3,5-dimethoxyphenyl)-5-(3-imidazol-1-ylpropyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one (PubChem CID 43857545) has the molecular formula C25H24ClN5O4 and a molecular weight of 493.95 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-4-(4-hydroxy-3,5-dimethoxyphenyl)-5-(3-imidazol-1-ylpropyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-4-(4-hydroxy-3,5-dimethoxyphenyl)-5-(3-imidazol-1-ylpropyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
PubChem CID43857545
Molecular FormulaC25H24ClN5O4
Molecular Weight493.95 g/mol
Exact Mass493.15
IUPAC Name3-(4-chlorophenyl)-4-(4-hydroxy-3,5-dimethoxyphenyl)-5-(3-imidazol-1-ylpropyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
SMILESCOc1cc(C2c3c(-c4ccc(Cl)cc4)n[nH]c3C(=O)N2CCCn2ccnc2)cc(OC)c1O
InChIInChI=1S/C25H24ClN5O4/c1-34-18-12-16(13-19(35-2)24(18)32)23-20-21(15-4-6-17(26)7-5-15)28-29-22(20)25(33)31(23)10-3-9-30-11-8-27-14-30/h4-8,11-14,23,32H,3,9-10H2,1-2H3,(H,28,29)
InChIKeyTWAGXSYNKRHMIC-UHFFFAOYSA-N
XLogP4.28
TPSA105.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.95
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-(4-chlorophenyl)-5-(3-imidazol-1-ylpropyl)-3-(4-methylphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43856671
3-(4-chlorophenyl)-5-(3-imidazol-1-ylpropyl)-4-(4-propan-2-ylphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43857413
4-[4-[(4-chlorophenyl)methoxy]phenyl]-5-(3-imidazol-1-ylpropyl)-3-(4-methoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43859397
5-(3-imidazol-1-ylpropyl)-4-(3-methoxy-4-phenylmethoxyphenyl)-3-(4-methylphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43857179
5-(3-imidazol-1-ylpropyl)-3-(4-methoxyphenyl)-4-(3-methoxy-4-phenylmethoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43859343
4-(2-chlorophenyl)-3-(4-chlorophenyl)-5-(3-imidazol-1-ylpropyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43857677
4-(3-ethoxy-4-hydroxyphenyl)-5-(3-imidazol-1-ylpropyl)-3-phenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43855507
4-(4-hydroxy-3,5-dimethoxyphenyl)-3-(4-methylphenyl)-5-pentyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43856474
3-(4-chlorophenyl)-4-(3,4-dimethoxyphenyl)-5-pentyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43857505
5-(3-imidazol-1-ylpropyl)-4-(4-methylphenyl)-3-phenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43855142
4-(4-hydroxy-3,5-dimethoxyphenyl)-3-(4-methoxyphenyl)-5-(3-methoxypropyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43858605
4-(4-hydroxy-3,5-dimethoxyphenyl)-3-(4-methoxyphenyl)-5-propyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43858619

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-4-(4-hydroxy-3,5-dimethoxyphenyl)-5-(3-imidazol-1-ylpropyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?
The IUPAC name of 3-(4-chlorophenyl)-4-(4-hydroxy-3,5-dimethoxyphenyl)-5-(3-imidazol-1-ylpropyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one (CID 43857545) is 3-(4-chlorophenyl)-4-(4-hydroxy-3,5-dimethoxyphenyl)-5-(3-imidazol-1-ylpropyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one.
What is the SMILES notation for 3-(4-chlorophenyl)-4-(4-hydroxy-3,5-dimethoxyphenyl)-5-(3-imidazol-1-ylpropyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?
The canonical SMILES for 3-(4-chlorophenyl)-4-(4-hydroxy-3,5-dimethoxyphenyl)-5-(3-imidazol-1-ylpropyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one is COc1cc(C2c3c(-c4ccc(Cl)cc4)n[nH]c3C(=O)N2CCCn2ccnc2)cc(OC)c1O.
What is the InChIKey of 3-(4-chlorophenyl)-4-(4-hydroxy-3,5-dimethoxyphenyl)-5-(3-imidazol-1-ylpropyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?
The InChIKey is TWAGXSYNKRHMIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN5O4/c1-34-18-12-16(13-19(35-2)24(18)32)23-20-21(15-4-6-17(26)7-5-15)28-29-22(20)25(33)31(23)10-3-9-30-11-8-27-14-30/h4-8,11-14,23,32H,3,9-10H2,1-2H3,(H,28,29).
What are the key properties of 3-(4-chlorophenyl)-4-(4-hydroxy-3,5-dimethoxyphenyl)-5-(3-imidazol-1-ylpropyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?
3-(4-chlorophenyl)-4-(4-hydroxy-3,5-dimethoxyphenyl)-5-(3-imidazol-1-ylpropyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one has a molecular weight of 493.95 g/mol, XLogP of 4.28, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-4-(4-hydroxy-3,5-dimethoxyphenyl)-5-(3-imidazol-1-ylpropyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one is sourced from PubChem (CID 43857545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).