4-cyclohexyl-3-(5-methyl-1,2-oxazol-3-yl)-5-[4-(1,2-oxazol-3-yl)phenyl]-1H-pyrrolo[3,4-c]pyrazol-6-ol

C24H23N5O3 — CID 136625679

IUPAC4-cyclohexyl-3-(5-methyl-1,2-oxazol-3-yl)-5-[4-(1,2-oxazol-3-yl)phenyl]-1H-pyrrolo[3,4-c]pyrazol-6-ol
SMILESCc1cc(-c2n[nH]c3c(O)n(-c4ccc(-c5ccon5)cc4)c(C4CCCCC4)c23)no1
InChIInChI=1S/C24H23N5O3/c1-14-13-19(28-32-14)21-20-22(26-25-21)24(30)29(23(20)16-5-3-2-4-6-16)17-9-7-15(8-10-17)18-11-12-31-27-18/h7-13,16,26,30H,2-6H2,1H3
InChIKeyOFCWYCAGRBPMBF-UHFFFAOYSA-N
MW429.48 g/mol
LogP5.73
Rot. Bonds4

About 4-cyclohexyl-3-(5-methyl-1,2-oxazol-3-yl)-5-[4-(1,2-oxazol-3-yl)phenyl]-1H-pyrrolo[3,4-c]pyrazol-6-ol

4-cyclohexyl-3-(5-methyl-1,2-oxazol-3-yl)-5-[4-(1,2-oxazol-3-yl)phenyl]-1H-pyrrolo[3,4-c]pyrazol-6-ol (PubChem CID 136625679) has the molecular formula C24H23N5O3 and a molecular weight of 429.48 g/mol. Its IUPAC name is 4-cyclohexyl-3-(5-methyl-1,2-oxazol-3-yl)-5-[4-(1,2-oxazol-3-yl)phenyl]-1H-pyrrolo[3,4-c]pyrazol-6-ol.

Molecular Properties

Compound Name4-cyclohexyl-3-(5-methyl-1,2-oxazol-3-yl)-5-[4-(1,2-oxazol-3-yl)phenyl]-1H-pyrrolo[3,4-c]pyrazol-6-ol
PubChem CID136625679
Molecular FormulaC24H23N5O3
Molecular Weight429.48 g/mol
Exact Mass429.18
IUPAC Name4-cyclohexyl-3-(5-methyl-1,2-oxazol-3-yl)-5-[4-(1,2-oxazol-3-yl)phenyl]-1H-pyrrolo[3,4-c]pyrazol-6-ol
SMILESCc1cc(-c2n[nH]c3c(O)n(-c4ccc(-c5ccon5)cc4)c(C4CCCCC4)c23)no1
InChIInChI=1S/C24H23N5O3/c1-14-13-19(28-32-14)21-20-22(26-25-21)24(30)29(23(20)16-5-3-2-4-6-16)17-9-7-15(8-10-17)18-11-12-31-27-18/h7-13,16,26,30H,2-6H2,1H3
InChIKeyOFCWYCAGRBPMBF-UHFFFAOYSA-N
XLogP5.73
TPSA105.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.48
LogP ≤ 55.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-cyclohexyl-3-(5-methyl-1,2-oxazol-3-yl)-5-[4-(1,2-oxazol-3-yl)phenyl]-1H-pyrrolo[3,4-c]pyrazol-6-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-3-(5-methyl-1,2-oxazol-3-yl)-5-[4-(1,2-oxazol-3-yl)phenyl]-1H-pyrrolo[3,4-c]pyrazol-6-ol?
The IUPAC name of 4-cyclohexyl-3-(5-methyl-1,2-oxazol-3-yl)-5-[4-(1,2-oxazol-3-yl)phenyl]-1H-pyrrolo[3,4-c]pyrazol-6-ol (CID 136625679) is 4-cyclohexyl-3-(5-methyl-1,2-oxazol-3-yl)-5-[4-(1,2-oxazol-3-yl)phenyl]-1H-pyrrolo[3,4-c]pyrazol-6-ol.
What is the SMILES notation for 4-cyclohexyl-3-(5-methyl-1,2-oxazol-3-yl)-5-[4-(1,2-oxazol-3-yl)phenyl]-1H-pyrrolo[3,4-c]pyrazol-6-ol?
The canonical SMILES for 4-cyclohexyl-3-(5-methyl-1,2-oxazol-3-yl)-5-[4-(1,2-oxazol-3-yl)phenyl]-1H-pyrrolo[3,4-c]pyrazol-6-ol is Cc1cc(-c2n[nH]c3c(O)n(-c4ccc(-c5ccon5)cc4)c(C4CCCCC4)c23)no1.
What is the InChIKey of 4-cyclohexyl-3-(5-methyl-1,2-oxazol-3-yl)-5-[4-(1,2-oxazol-3-yl)phenyl]-1H-pyrrolo[3,4-c]pyrazol-6-ol?
The InChIKey is OFCWYCAGRBPMBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O3/c1-14-13-19(28-32-14)21-20-22(26-25-21)24(30)29(23(20)16-5-3-2-4-6-16)17-9-7-15(8-10-17)18-11-12-31-27-18/h7-13,16,26,30H,2-6H2,1H3.
What are the key properties of 4-cyclohexyl-3-(5-methyl-1,2-oxazol-3-yl)-5-[4-(1,2-oxazol-3-yl)phenyl]-1H-pyrrolo[3,4-c]pyrazol-6-ol?
4-cyclohexyl-3-(5-methyl-1,2-oxazol-3-yl)-5-[4-(1,2-oxazol-3-yl)phenyl]-1H-pyrrolo[3,4-c]pyrazol-6-ol has a molecular weight of 429.48 g/mol, XLogP of 5.73, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-3-(5-methyl-1,2-oxazol-3-yl)-5-[4-(1,2-oxazol-3-yl)phenyl]-1H-pyrrolo[3,4-c]pyrazol-6-ol is sourced from PubChem (CID 136625679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).