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

C25H23N5O2 — CID 90501873

IUPACN-[4-[2-(2-methylphenyl)-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carbonyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)N2Cc3nn(-c4ccccc4C)c(-n4cccc4)c3C2)cc1
InChIInChI=1S/C25H23N5O2/c1-17-7-3-4-8-23(17)30-24(28-13-5-6-14-28)21-15-29(16-22(21)27-30)25(32)19-9-11-20(12-10-19)26-18(2)31/h3-14H,15-16H2,1-2H3,(H,26,31)
InChIKeyOAMLVQPNFKPDJX-UHFFFAOYSA-N
MW425.49 g/mol
LogP4.09
Rot. Bonds4

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

N-[4-[2-(2-methylphenyl)-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carbonyl]phenyl]acetamide (PubChem CID 90501873) has the molecular formula C25H23N5O2 and a molecular weight of 425.49 g/mol. Its IUPAC name is N-[4-[2-(2-methylphenyl)-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carbonyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-(2-methylphenyl)-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carbonyl]phenyl]acetamide
PubChem CID90501873
Molecular FormulaC25H23N5O2
Molecular Weight425.49 g/mol
Exact Mass425.19
IUPAC NameN-[4-[2-(2-methylphenyl)-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carbonyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)N2Cc3nn(-c4ccccc4C)c(-n4cccc4)c3C2)cc1
InChIInChI=1S/C25H23N5O2/c1-17-7-3-4-8-23(17)30-24(28-13-5-6-14-28)21-15-29(16-22(21)27-30)25(32)19-9-11-20(12-10-19)26-18(2)31/h3-14H,15-16H2,1-2H3,(H,26,31)
InChIKeyOAMLVQPNFKPDJX-UHFFFAOYSA-N
XLogP4.09
TPSA72.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-fluorophenyl)-[2-(2-methylphenyl)-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]methanone
CID 90501940
(2,6-difluorophenyl)-[2-(2-methylphenyl)-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]methanone
CID 90501948
[2-[2-(2-methylphenyl)-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carbonyl]phenyl]-phenylmethanone
CID 90501874
3-[2-(2-methylphenyl)-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carbonyl]-1H-pyridazin-6-one
CID 56724298
4-chloro-1-[2-(2-methylphenyl)-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]butan-1-one
CID 90501914
[2-(3,4-dimethylphenyl)-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-(4-methylphenyl)methanone
CID 90502334
[2-(2-methylphenyl)-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-(4-phenyloxan-4-yl)methanone
CID 90502049
(E)-3-(2-chlorophenyl)-1-[2-(2-methylphenyl)-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]prop-2-en-1-one
CID 90501861
1-[2-(2-methylphenyl)-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-2-(4-nitrophenyl)ethanone
CID 90501996
2-(3-methylphenoxy)-1-[2-(2-methylphenyl)-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]ethanone
CID 90501984
1-[2-(2-methylphenyl)-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-2-(4-propan-2-ylphenoxy)ethanone
CID 90501986
(2-chlorophenyl)-[2-(3-methylphenyl)-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]methanone
CID 90501729

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2-methylphenyl)-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carbonyl]phenyl]acetamide?
The IUPAC name of N-[4-[2-(2-methylphenyl)-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carbonyl]phenyl]acetamide (CID 90501873) is N-[4-[2-(2-methylphenyl)-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carbonyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-(2-methylphenyl)-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carbonyl]phenyl]acetamide?
The canonical SMILES for N-[4-[2-(2-methylphenyl)-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carbonyl]phenyl]acetamide is CC(=O)Nc1ccc(C(=O)N2Cc3nn(-c4ccccc4C)c(-n4cccc4)c3C2)cc1.
What is the InChIKey of N-[4-[2-(2-methylphenyl)-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carbonyl]phenyl]acetamide?
The InChIKey is OAMLVQPNFKPDJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O2/c1-17-7-3-4-8-23(17)30-24(28-13-5-6-14-28)21-15-29(16-22(21)27-30)25(32)19-9-11-20(12-10-19)26-18(2)31/h3-14H,15-16H2,1-2H3,(H,26,31).
What are the key properties of N-[4-[2-(2-methylphenyl)-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carbonyl]phenyl]acetamide?
N-[4-[2-(2-methylphenyl)-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carbonyl]phenyl]acetamide has a molecular weight of 425.49 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(2-methylphenyl)-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carbonyl]phenyl]acetamide is sourced from PubChem (CID 90501873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).