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

C24H22ClN5O — CID 43856671

IUPAC4-(4-chlorophenyl)-5-(3-imidazol-1-ylpropyl)-3-(4-methylphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
SMILESCc1ccc(-c2n[nH]c3c2C(c2ccc(Cl)cc2)N(CCCn2ccnc2)C3=O)cc1
InChIInChI=1S/C24H22ClN5O/c1-16-3-5-17(6-4-16)21-20-22(28-27-21)24(31)30(13-2-12-29-14-11-26-15-29)23(20)18-7-9-19(25)10-8-18/h3-11,14-15,23H,2,12-13H2,1H3,(H,27,28)
InChIKeyBLUVUJUGNCDTGO-UHFFFAOYSA-N
MW431.93 g/mol
LogP4.87
Rot. Bonds6

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

4-(4-chlorophenyl)-5-(3-imidazol-1-ylpropyl)-3-(4-methylphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one (PubChem CID 43856671) has the molecular formula C24H22ClN5O and a molecular weight of 431.93 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-5-(3-imidazol-1-ylpropyl)-3-(4-methylphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one.

Molecular Properties

Compound Name4-(4-chlorophenyl)-5-(3-imidazol-1-ylpropyl)-3-(4-methylphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
PubChem CID43856671
Molecular FormulaC24H22ClN5O
Molecular Weight431.93 g/mol
Exact Mass431.15
IUPAC Name4-(4-chlorophenyl)-5-(3-imidazol-1-ylpropyl)-3-(4-methylphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
SMILESCc1ccc(-c2n[nH]c3c2C(c2ccc(Cl)cc2)N(CCCn2ccnc2)C3=O)cc1
InChIInChI=1S/C24H22ClN5O/c1-16-3-5-17(6-4-16)21-20-22(28-27-21)24(31)30(13-2-12-29-14-11-26-15-29)23(20)18-7-9-19(25)10-8-18/h3-11,14-15,23H,2,12-13H2,1H3,(H,27,28)
InChIKeyBLUVUJUGNCDTGO-UHFFFAOYSA-N
XLogP4.87
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.93
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-chlorophenyl)-5-(3-imidazol-1-ylpropyl)-4-(4-propan-2-ylphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43857413
5-(3-imidazol-1-ylpropyl)-4-(4-methylphenyl)-3-phenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43855142
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
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
4-(2-chlorophenyl)-3-(4-chlorophenyl)-5-(3-imidazol-1-ylpropyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43857677
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-butyl-4-[4-[(4-chlorophenyl)methoxy]phenyl]-3-(4-methylphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43857218
5-[(4-chlorophenyl)methyl]-4-(4-methylphenyl)-3-phenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43855146
3-(4-chlorophenyl)-4-(4-ethylphenyl)-5-[(4-methylphenyl)methyl]-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43857383
4-(3-ethoxy-4-hydroxyphenyl)-5-(3-imidazol-1-ylpropyl)-3-phenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43855507
(5R)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-(3-imidazol-1-ylpropyl)-5-(4-methylphenyl)pyrrolidine-2,3-dione
CID 1125614
4-[4-[(4-chlorophenyl)methoxy]phenyl]-5-(3-methoxypropyl)-3-(4-methylphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43857212

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-5-(3-imidazol-1-ylpropyl)-3-(4-methylphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?
The IUPAC name of 4-(4-chlorophenyl)-5-(3-imidazol-1-ylpropyl)-3-(4-methylphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one (CID 43856671) is 4-(4-chlorophenyl)-5-(3-imidazol-1-ylpropyl)-3-(4-methylphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one.
What is the SMILES notation for 4-(4-chlorophenyl)-5-(3-imidazol-1-ylpropyl)-3-(4-methylphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?
The canonical SMILES for 4-(4-chlorophenyl)-5-(3-imidazol-1-ylpropyl)-3-(4-methylphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one is Cc1ccc(-c2n[nH]c3c2C(c2ccc(Cl)cc2)N(CCCn2ccnc2)C3=O)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-5-(3-imidazol-1-ylpropyl)-3-(4-methylphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?
The InChIKey is BLUVUJUGNCDTGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN5O/c1-16-3-5-17(6-4-16)21-20-22(28-27-21)24(31)30(13-2-12-29-14-11-26-15-29)23(20)18-7-9-19(25)10-8-18/h3-11,14-15,23H,2,12-13H2,1H3,(H,27,28).
What are the key properties of 4-(4-chlorophenyl)-5-(3-imidazol-1-ylpropyl)-3-(4-methylphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?
4-(4-chlorophenyl)-5-(3-imidazol-1-ylpropyl)-3-(4-methylphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one has a molecular weight of 431.93 g/mol, XLogP of 4.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-5-(3-imidazol-1-ylpropyl)-3-(4-methylphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one is sourced from PubChem (CID 43856671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).