4-(2-chlorophenyl)-3-(4-chlorophenyl)-5-(3-imidazol-1-ylpropyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one

C23H19Cl2N5O — CID 43857677

IUPAC4-(2-chlorophenyl)-3-(4-chlorophenyl)-5-(3-imidazol-1-ylpropyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
SMILESO=C1c2[nH]nc(-c3ccc(Cl)cc3)c2C(c2ccccc2Cl)N1CCCn1ccnc1
InChIInChI=1S/C23H19Cl2N5O/c24-16-8-6-15(7-9-16)20-19-21(28-27-20)23(31)30(12-3-11-29-13-10-26-14-29)22(19)17-4-1-2-5-18(17)25/h1-2,4-10,13-14,22H,3,11-12H2,(H,27,28)
InChIKeyQKNNEAXHBDCOMV-UHFFFAOYSA-N
MW452.35 g/mol
LogP5.22
Rot. Bonds6

About 4-(2-chlorophenyl)-3-(4-chlorophenyl)-5-(3-imidazol-1-ylpropyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one

4-(2-chlorophenyl)-3-(4-chlorophenyl)-5-(3-imidazol-1-ylpropyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one (PubChem CID 43857677) has the molecular formula C23H19Cl2N5O and a molecular weight of 452.35 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-3-(4-chlorophenyl)-5-(3-imidazol-1-ylpropyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one.

Molecular Properties

Compound Name4-(2-chlorophenyl)-3-(4-chlorophenyl)-5-(3-imidazol-1-ylpropyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
PubChem CID43857677
Molecular FormulaC23H19Cl2N5O
Molecular Weight452.35 g/mol
Exact Mass451.10
IUPAC Name4-(2-chlorophenyl)-3-(4-chlorophenyl)-5-(3-imidazol-1-ylpropyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
SMILESO=C1c2[nH]nc(-c3ccc(Cl)cc3)c2C(c2ccccc2Cl)N1CCCn1ccnc1
InChIInChI=1S/C23H19Cl2N5O/c24-16-8-6-15(7-9-16)20-19-21(28-27-20)23(31)30(12-3-11-29-13-10-26-14-29)22(19)17-4-1-2-5-18(17)25/h1-2,4-10,13-14,22H,3,11-12H2,(H,27,28)
InChIKeyQKNNEAXHBDCOMV-UHFFFAOYSA-N
XLogP5.22
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.35
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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-(2-chlorophenyl)-3-(4-chlorophenyl)-5-propyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43857670
5-(3-imidazol-1-ylpropyl)-4-(4-methylphenyl)-3-phenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43855142
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-(2-methoxyethyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43857668
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
4-(2-chlorophenyl)-3-(4-chlorophenyl)-5-(furan-2-ylmethyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43857660
5-butyl-4-(2-chlorophenyl)-3-(4-methoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43858742
4-(2-chlorophenyl)-3-(4-methylphenyl)-5-(3-morpholin-4-ylpropyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43856606
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-(3-ethoxy-4-hydroxyphenyl)-5-(3-imidazol-1-ylpropyl)-3-phenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43855507

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-3-(4-chlorophenyl)-5-(3-imidazol-1-ylpropyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?
The IUPAC name of 4-(2-chlorophenyl)-3-(4-chlorophenyl)-5-(3-imidazol-1-ylpropyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one (CID 43857677) is 4-(2-chlorophenyl)-3-(4-chlorophenyl)-5-(3-imidazol-1-ylpropyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one.
What is the SMILES notation for 4-(2-chlorophenyl)-3-(4-chlorophenyl)-5-(3-imidazol-1-ylpropyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?
The canonical SMILES for 4-(2-chlorophenyl)-3-(4-chlorophenyl)-5-(3-imidazol-1-ylpropyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one is O=C1c2[nH]nc(-c3ccc(Cl)cc3)c2C(c2ccccc2Cl)N1CCCn1ccnc1.
What is the InChIKey of 4-(2-chlorophenyl)-3-(4-chlorophenyl)-5-(3-imidazol-1-ylpropyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?
The InChIKey is QKNNEAXHBDCOMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19Cl2N5O/c24-16-8-6-15(7-9-16)20-19-21(28-27-20)23(31)30(12-3-11-29-13-10-26-14-29)22(19)17-4-1-2-5-18(17)25/h1-2,4-10,13-14,22H,3,11-12H2,(H,27,28).
What are the key properties of 4-(2-chlorophenyl)-3-(4-chlorophenyl)-5-(3-imidazol-1-ylpropyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?
4-(2-chlorophenyl)-3-(4-chlorophenyl)-5-(3-imidazol-1-ylpropyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one has a molecular weight of 452.35 g/mol, XLogP of 5.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-3-(4-chlorophenyl)-5-(3-imidazol-1-ylpropyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one is sourced from PubChem (CID 43857677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).