3-[4-(4-fluorophenyl)phenyl]-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol

C25H20FN5O — CID 135988690

IUPAC3-[4-(4-fluorophenyl)phenyl]-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol
SMILESCn1nc(-c2ccc(-c3ccc(F)cc3)cc2)c(O)c1-c1nc2cc3c(cc2[nH]1)CNC3
InChIInChI=1S/C25H20FN5O/c1-31-23(25-28-20-10-17-12-27-13-18(17)11-21(20)29-25)24(32)22(30-31)16-4-2-14(3-5-16)15-6-8-19(26)9-7-15/h2-11,27,32H,12-13H2,1H3,(H,28,29)
InChIKeyAOSNKTIOCXMMAR-UHFFFAOYSA-N
MW425.47 g/mol
LogP4.75
Rot. Bonds3

About 3-[4-(4-fluorophenyl)phenyl]-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol

3-[4-(4-fluorophenyl)phenyl]-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol (PubChem CID 135988690) has the molecular formula C25H20FN5O and a molecular weight of 425.47 g/mol. Its IUPAC name is 3-[4-(4-fluorophenyl)phenyl]-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol.

Molecular Properties

Compound Name3-[4-(4-fluorophenyl)phenyl]-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol
PubChem CID135988690
Molecular FormulaC25H20FN5O
Molecular Weight425.47 g/mol
Exact Mass425.17
IUPAC Name3-[4-(4-fluorophenyl)phenyl]-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol
SMILESCn1nc(-c2ccc(-c3ccc(F)cc3)cc2)c(O)c1-c1nc2cc3c(cc2[nH]1)CNC3
InChIInChI=1S/C25H20FN5O/c1-31-23(25-28-20-10-17-12-27-13-18(17)11-21(20)29-25)24(32)22(30-31)16-4-2-14(3-5-16)15-6-8-19(26)9-7-15/h2-11,27,32H,12-13H2,1H3,(H,28,29)
InChIKeyAOSNKTIOCXMMAR-UHFFFAOYSA-N
XLogP4.75
TPSA78.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.47
LogP ≤ 54.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-fluorophenyl)phenyl]-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol?
The IUPAC name of 3-[4-(4-fluorophenyl)phenyl]-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol (CID 135988690) is 3-[4-(4-fluorophenyl)phenyl]-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol.
What is the SMILES notation for 3-[4-(4-fluorophenyl)phenyl]-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol?
The canonical SMILES for 3-[4-(4-fluorophenyl)phenyl]-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol is Cn1nc(-c2ccc(-c3ccc(F)cc3)cc2)c(O)c1-c1nc2cc3c(cc2[nH]1)CNC3.
What is the InChIKey of 3-[4-(4-fluorophenyl)phenyl]-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol?
The InChIKey is AOSNKTIOCXMMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FN5O/c1-31-23(25-28-20-10-17-12-27-13-18(17)11-21(20)29-25)24(32)22(30-31)16-4-2-14(3-5-16)15-6-8-19(26)9-7-15/h2-11,27,32H,12-13H2,1H3,(H,28,29).
What are the key properties of 3-[4-(4-fluorophenyl)phenyl]-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol?
3-[4-(4-fluorophenyl)phenyl]-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol has a molecular weight of 425.47 g/mol, XLogP of 4.75, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-fluorophenyl)phenyl]-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol is sourced from PubChem (CID 135988690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).