[2-[2-(4-methylphenyl)-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carbonyl]phenyl]-phenylmethanone

C30H24N4O2 — CID 90501447

IUPAC[2-[2-(4-methylphenyl)-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carbonyl]phenyl]-phenylmethanone
SMILESCc1ccc(-n2nc3c(c2-n2cccc2)CN(C(=O)c2ccccc2C(=O)c2ccccc2)C3)cc1
InChIInChI=1S/C30H24N4O2/c1-21-13-15-23(16-14-21)34-29(32-17-7-8-18-32)26-19-33(20-27(26)31-34)30(36)25-12-6-5-11-24(25)28(35)22-9-3-2-4-10-22/h2-18H,19-20H2,1H3
InChIKeyWHCHOXSCQCQPQT-UHFFFAOYSA-N
MW472.55 g/mol
LogP5.36
Rot. Bonds5

About [2-[2-(4-methylphenyl)-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carbonyl]phenyl]-phenylmethanone

[2-[2-(4-methylphenyl)-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carbonyl]phenyl]-phenylmethanone (PubChem CID 90501447) has the molecular formula C30H24N4O2 and a molecular weight of 472.55 g/mol. Its IUPAC name is [2-[2-(4-methylphenyl)-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carbonyl]phenyl]-phenylmethanone.

Molecular Properties

Compound Name[2-[2-(4-methylphenyl)-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carbonyl]phenyl]-phenylmethanone
PubChem CID90501447
Molecular FormulaC30H24N4O2
Molecular Weight472.55 g/mol
Exact Mass472.19
IUPAC Name[2-[2-(4-methylphenyl)-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carbonyl]phenyl]-phenylmethanone
SMILESCc1ccc(-n2nc3c(c2-n2cccc2)CN(C(=O)c2ccccc2C(=O)c2ccccc2)C3)cc1
InChIInChI=1S/C30H24N4O2/c1-21-13-15-23(16-14-21)34-29(32-17-7-8-18-32)26-19-33(20-27(26)31-34)30(36)25-12-6-5-11-24(25)28(35)22-9-3-2-4-10-22/h2-18H,19-20H2,1H3
InChIKeyWHCHOXSCQCQPQT-UHFFFAOYSA-N
XLogP5.36
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.55
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[2-(2-methylphenyl)-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carbonyl]phenyl]-phenylmethanone
CID 90501874
[2-(3,4-dimethylphenyl)-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-(4-methylphenyl)methanone
CID 90502334
(2-chlorophenyl)-[2-(3-methylphenyl)-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]methanone
CID 90501729
(3,4-difluorophenyl)-[2-(4-methylphenyl)-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]methanone
CID 56724291
(2-chloro-5-nitrophenyl)-[2-(4-methylphenyl)-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]methanone
CID 90501533
(2-bromo-5-methoxyphenyl)-[2-(4-methylphenyl)-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]methanone
CID 90501448
[2-(4-methylphenyl)-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-pyrazin-2-ylmethanone
CID 90501607
2-ethoxy-1-[2-(4-methylphenyl)-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]ethanone
CID 90501482
(2,3-dimethoxyphenyl)-[2-(3-methylphenyl)-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]methanone
CID 90501721
3-cyclohexyl-1-[2-(4-methylphenyl)-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]propan-1-one
CID 90501477
(2-tert-butyl-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-(2-methylphenyl)methanone
CID 90501278
3-[2-(3-methylphenyl)-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carbonyl]chromen-2-one
CID 90501795

Frequently Asked Questions

What is the IUPAC name of [2-[2-(4-methylphenyl)-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carbonyl]phenyl]-phenylmethanone?
The IUPAC name of [2-[2-(4-methylphenyl)-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carbonyl]phenyl]-phenylmethanone (CID 90501447) is [2-[2-(4-methylphenyl)-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carbonyl]phenyl]-phenylmethanone.
What is the SMILES notation for [2-[2-(4-methylphenyl)-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carbonyl]phenyl]-phenylmethanone?
The canonical SMILES for [2-[2-(4-methylphenyl)-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carbonyl]phenyl]-phenylmethanone is Cc1ccc(-n2nc3c(c2-n2cccc2)CN(C(=O)c2ccccc2C(=O)c2ccccc2)C3)cc1.
What is the InChIKey of [2-[2-(4-methylphenyl)-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carbonyl]phenyl]-phenylmethanone?
The InChIKey is WHCHOXSCQCQPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N4O2/c1-21-13-15-23(16-14-21)34-29(32-17-7-8-18-32)26-19-33(20-27(26)31-34)30(36)25-12-6-5-11-24(25)28(35)22-9-3-2-4-10-22/h2-18H,19-20H2,1H3.
What are the key properties of [2-[2-(4-methylphenyl)-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carbonyl]phenyl]-phenylmethanone?
[2-[2-(4-methylphenyl)-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carbonyl]phenyl]-phenylmethanone has a molecular weight of 472.55 g/mol, XLogP of 5.36, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(4-methylphenyl)-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carbonyl]phenyl]-phenylmethanone is sourced from PubChem (CID 90501447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).