4-(2-methoxyphenyl)-5-[4-(1,2-oxazol-3-yl)phenyl]-3-propan-2-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one

C24H22N4O3 — CID 59447789

IUPAC4-(2-methoxyphenyl)-5-[4-(1,2-oxazol-3-yl)phenyl]-3-propan-2-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
SMILESCOc1ccccc1C1c2c(n[nH]c2C(C)C)C(=O)N1c1ccc(-c2ccon2)cc1
InChIInChI=1S/C24H22N4O3/c1-14(2)21-20-22(26-25-21)24(29)28(23(20)17-6-4-5-7-19(17)30-3)16-10-8-15(9-11-16)18-12-13-31-27-18/h4-14,23H,1-3H3,(H,25,26)
InChIKeyRWYNHNUIRZAEBR-UHFFFAOYSA-N
MW414.47 g/mol
LogP4.95
Rot. Bonds5

About 4-(2-methoxyphenyl)-5-[4-(1,2-oxazol-3-yl)phenyl]-3-propan-2-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one

4-(2-methoxyphenyl)-5-[4-(1,2-oxazol-3-yl)phenyl]-3-propan-2-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one (PubChem CID 59447789) has the molecular formula C24H22N4O3 and a molecular weight of 414.47 g/mol. Its IUPAC name is 4-(2-methoxyphenyl)-5-[4-(1,2-oxazol-3-yl)phenyl]-3-propan-2-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one.

Molecular Properties

Compound Name4-(2-methoxyphenyl)-5-[4-(1,2-oxazol-3-yl)phenyl]-3-propan-2-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
PubChem CID59447789
Molecular FormulaC24H22N4O3
Molecular Weight414.47 g/mol
Exact Mass414.17
IUPAC Name4-(2-methoxyphenyl)-5-[4-(1,2-oxazol-3-yl)phenyl]-3-propan-2-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
SMILESCOc1ccccc1C1c2c(n[nH]c2C(C)C)C(=O)N1c1ccc(-c2ccon2)cc1
InChIInChI=1S/C24H22N4O3/c1-14(2)21-20-22(26-25-21)24(29)28(23(20)17-6-4-5-7-19(17)30-3)16-10-8-15(9-11-16)18-12-13-31-27-18/h4-14,23H,1-3H3,(H,25,26)
InChIKeyRWYNHNUIRZAEBR-UHFFFAOYSA-N
XLogP4.95
TPSA84.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenyl)-5-[4-(1,2-oxazol-3-yl)phenyl]-3-propan-2-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
The IUPAC name of 4-(2-methoxyphenyl)-5-[4-(1,2-oxazol-3-yl)phenyl]-3-propan-2-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one (CID 59447789) is 4-(2-methoxyphenyl)-5-[4-(1,2-oxazol-3-yl)phenyl]-3-propan-2-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one.
What is the SMILES notation for 4-(2-methoxyphenyl)-5-[4-(1,2-oxazol-3-yl)phenyl]-3-propan-2-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
The canonical SMILES for 4-(2-methoxyphenyl)-5-[4-(1,2-oxazol-3-yl)phenyl]-3-propan-2-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one is COc1ccccc1C1c2c(n[nH]c2C(C)C)C(=O)N1c1ccc(-c2ccon2)cc1.
What is the InChIKey of 4-(2-methoxyphenyl)-5-[4-(1,2-oxazol-3-yl)phenyl]-3-propan-2-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
The InChIKey is RWYNHNUIRZAEBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O3/c1-14(2)21-20-22(26-25-21)24(29)28(23(20)17-6-4-5-7-19(17)30-3)16-10-8-15(9-11-16)18-12-13-31-27-18/h4-14,23H,1-3H3,(H,25,26).
What are the key properties of 4-(2-methoxyphenyl)-5-[4-(1,2-oxazol-3-yl)phenyl]-3-propan-2-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
4-(2-methoxyphenyl)-5-[4-(1,2-oxazol-3-yl)phenyl]-3-propan-2-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one has a molecular weight of 414.47 g/mol, XLogP of 4.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenyl)-5-[4-(1,2-oxazol-3-yl)phenyl]-3-propan-2-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one is sourced from PubChem (CID 59447789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).