[2-(3-methylphenyl)-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone

C26H21N5O2 — CID 90501816

IUPAC[2-(3-methylphenyl)-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
SMILESCc1cccc(-n2nc3c(c2-n2cccc2)CN(C(=O)c2cc(-c4ccccc4)on2)C3)c1
InChIInChI=1S/C26H21N5O2/c1-18-8-7-11-20(14-18)31-25(29-12-5-6-13-29)21-16-30(17-23(21)27-31)26(32)22-15-24(33-28-22)19-9-3-2-4-10-19/h2-15H,16-17H2,1H3
InChIKeyFQXKVCNDJARBOC-UHFFFAOYSA-N
MW435.49 g/mol
LogP4.78
Rot. Bonds4

About [2-(3-methylphenyl)-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone

[2-(3-methylphenyl)-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone (PubChem CID 90501816) has the molecular formula C26H21N5O2 and a molecular weight of 435.49 g/mol. Its IUPAC name is [2-(3-methylphenyl)-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name[2-(3-methylphenyl)-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
PubChem CID90501816
Molecular FormulaC26H21N5O2
Molecular Weight435.49 g/mol
Exact Mass435.17
IUPAC Name[2-(3-methylphenyl)-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
SMILESCc1cccc(-n2nc3c(c2-n2cccc2)CN(C(=O)c2cc(-c4ccccc4)on2)C3)c1
InChIInChI=1S/C26H21N5O2/c1-18-8-7-11-20(14-18)31-25(29-12-5-6-13-29)21-16-30(17-23(21)27-31)26(32)22-15-24(33-28-22)19-9-3-2-4-10-19/h2-15H,16-17H2,1H3
InChIKeyFQXKVCNDJARBOC-UHFFFAOYSA-N
XLogP4.78
TPSA69.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.49
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(3-methylphenyl)-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-(1,2-oxazol-5-yl)methanone
CID 90501627
(2-chlorophenyl)-[2-(3-methylphenyl)-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]methanone
CID 90501729
(5-bromofuran-2-yl)-[2-(3-methylphenyl)-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]methanone
CID 90501793
[2-(3,4-dimethylphenyl)-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone
CID 90502265
3-[2-(3-methylphenyl)-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carbonyl]chromen-2-one
CID 90501795
1-[2-(3-methylphenyl)-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-2-phenylbutan-1-one
CID 90501787
(3,4-diethoxyphenyl)-[2-(3-methylphenyl)-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]methanone
CID 90501724
(2,3-dimethoxyphenyl)-[2-(3-methylphenyl)-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]methanone
CID 90501721
[2-(3,4-dimethylphenyl)-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-(4-methylphenyl)methanone
CID 90502334
[2-[2-(4-methylphenyl)-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carbonyl]phenyl]-phenylmethanone
CID 90501447
[2-(4-methylphenyl)-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-pyrazin-2-ylmethanone
CID 90501607
2-(3,4-dimethoxyphenyl)-1-[2-(3-methylphenyl)-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]ethanone
CID 90501780

Frequently Asked Questions

What is the IUPAC name of [2-(3-methylphenyl)-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone?
The IUPAC name of [2-(3-methylphenyl)-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone (CID 90501816) is [2-(3-methylphenyl)-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone.
What is the SMILES notation for [2-(3-methylphenyl)-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone?
The canonical SMILES for [2-(3-methylphenyl)-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone is Cc1cccc(-n2nc3c(c2-n2cccc2)CN(C(=O)c2cc(-c4ccccc4)on2)C3)c1.
What is the InChIKey of [2-(3-methylphenyl)-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone?
The InChIKey is FQXKVCNDJARBOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N5O2/c1-18-8-7-11-20(14-18)31-25(29-12-5-6-13-29)21-16-30(17-23(21)27-31)26(32)22-15-24(33-28-22)19-9-3-2-4-10-19/h2-15H,16-17H2,1H3.
What are the key properties of [2-(3-methylphenyl)-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone?
[2-(3-methylphenyl)-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone has a molecular weight of 435.49 g/mol, XLogP of 4.78, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methylphenyl)-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 90501816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).