2-[(3-chlorophenyl)methyl]-3-(2-fluorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole;bis(3-(2-fluorophenyl)-5-methyl-2-[(3-piperidin-1-ylphenyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazole);piperidine

C72H82ClF3N12 — CID 167560972

IUPAC2-[(3-chlorophenyl)methyl]-3-(2-fluorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole;bis(3-(2-fluorophenyl)-5-methyl-2-[(3-piperidin-1-ylphenyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazole);piperidine
SMILESC1CCNCC1.CN1Cc2nn(Cc3cccc(Cl)c3)c(-c3ccccc3F)c2C1.CN1Cc2nn(Cc3cccc(N4CCCCC4)c3)c(-c3ccccc3F)c2C1.CN1Cc2nn(Cc3cccc(N4CCCCC4)c3)c(-c3ccccc3F)c2C1
InChIInChI=1S/2C24H27FN4.C19H17ClFN3.C5H11N/c2*1-27-16-21-23(17-27)26-29(24(21)20-10-3-4-11-22(20)25)15-18-8-7-9-19(14-18)28-12-5-2-6-13-28;1-23-11-16-18(12-23)22-24(10-13-5-4-6-14(20)9-13)19(16)15-7-2-3-8-17(15)21;1-2-4-6-5-3-1/h2*3-4,7-11,14H,2,5-6,12-13,15-17H2,1H3;2-9H,10-12H2,1H3;6H,1-5H2
InChIKeyDQOOLLXJONZKAG-UHFFFAOYSA-N
MW1207.98 g/mol
LogP14.44
Rot. Bonds11

About 2-[(3-chlorophenyl)methyl]-3-(2-fluorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole;bis(3-(2-fluorophenyl)-5-methyl-2-[(3-piperidin-1-ylphenyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazole);piperidine

2-[(3-chlorophenyl)methyl]-3-(2-fluorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole;bis(3-(2-fluorophenyl)-5-methyl-2-[(3-piperidin-1-ylphenyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazole);piperidine (PubChem CID 167560972) has the molecular formula C72H82ClF3N12 and a molecular weight of 1207.98 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methyl]-3-(2-fluorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole;bis(3-(2-fluorophenyl)-5-methyl-2-[(3-piperidin-1-ylphenyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazole);piperidine.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methyl]-3-(2-fluorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole;bis(3-(2-fluorophenyl)-5-methyl-2-[(3-piperidin-1-ylphenyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazole);piperidine
PubChem CID167560972
Molecular FormulaC72H82ClF3N12
Molecular Weight1207.98 g/mol
Exact Mass1206.64
IUPAC Name2-[(3-chlorophenyl)methyl]-3-(2-fluorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole;bis(3-(2-fluorophenyl)-5-methyl-2-[(3-piperidin-1-ylphenyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazole);piperidine
SMILESC1CCNCC1.CN1Cc2nn(Cc3cccc(Cl)c3)c(-c3ccccc3F)c2C1.CN1Cc2nn(Cc3cccc(N4CCCCC4)c3)c(-c3ccccc3F)c2C1.CN1Cc2nn(Cc3cccc(N4CCCCC4)c3)c(-c3ccccc3F)c2C1
InChIInChI=1S/2C24H27FN4.C19H17ClFN3.C5H11N/c2*1-27-16-21-23(17-27)26-29(24(21)20-10-3-4-11-22(20)25)15-18-8-7-9-19(14-18)28-12-5-2-6-13-28;1-23-11-16-18(12-23)22-24(10-13-5-4-6-14(20)9-13)19(16)15-7-2-3-8-17(15)21;1-2-4-6-5-3-1/h2*3-4,7-11,14H,2,5-6,12-13,15-17H2,1H3;2-9H,10-12H2,1H3;6H,1-5H2
InChIKeyDQOOLLXJONZKAG-UHFFFAOYSA-N
XLogP14.44
TPSA81.69 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds11
Heavy Atoms88
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001207.98
LogP ≤ 514.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Analyze 2-[(3-chlorophenyl)methyl]-3-(2-fluorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole;bis(3-(2-fluorophenyl)-5-methyl-2-[(3-piperidin-1-ylphenyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazole);piperidine with MolForge

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Related Compounds

2-(3-chloro-4-fluorophenyl)-3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;2-(2,4-difluoro-5-methylphenyl)-3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;2-(2,5-difluorophenyl)-3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;ethane;3-methyl-2-(2,3,4-trifluorophenyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;3-methyl-2-(2,4,5-trifluorophenyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole
CID 159712019
2-[(3-Chlorophenyl)methyl]-3-(2-fluorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole;bis(3-(2-fluorophenyl)-5-methyl-2-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]-4,6-dihydropyrrolo[3,4-c]pyrazole);1-methylpiperazine
CID 167532765
2-[(3-Chlorophenyl)methyl]-3-(2-fluorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole;bis(3-(2-fluorophenyl)-5-methyl-2-[[3-(4-piperidin-1-ylpiperidin-1-yl)phenyl]methyl]-4,6-dihydropyrrolo[3,4-c]pyrazole);1-piperidin-4-ylpiperidine
CID 167575324
bis(N-[3-[[[(4-amino-1-methyl-2,5-dihydropyrrol-3-yl)-(2-fluorophenyl)methylidene]amino]methyl]phenyl]-2-chloro-6-methylpyridin-3-amine);2-chloro-6-methylpyridin-3-amine;4-[C-(2-fluorophenyl)-N-[(3-iodophenyl)methyl]carbonimidoyl]-1-methyl-2,5-dihydropyrrol-3-amine;3-[[3-(2-fluorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]methyl]aniline;methane
CID 167598869
2-[(3-Chlorophenyl)methyl]-3-(2-fluorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole;cyclopentane;bis(3-(2-fluorophenyl)-5-methyl-2-[(3-pyrrolidin-1-ylphenyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazole)
CID 167616512

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methyl]-3-(2-fluorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole;bis(3-(2-fluorophenyl)-5-methyl-2-[(3-piperidin-1-ylphenyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazole);piperidine?
The IUPAC name of 2-[(3-chlorophenyl)methyl]-3-(2-fluorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole;bis(3-(2-fluorophenyl)-5-methyl-2-[(3-piperidin-1-ylphenyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazole);piperidine (CID 167560972) is 2-[(3-chlorophenyl)methyl]-3-(2-fluorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole;bis(3-(2-fluorophenyl)-5-methyl-2-[(3-piperidin-1-ylphenyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazole);piperidine.
What is the SMILES notation for 2-[(3-chlorophenyl)methyl]-3-(2-fluorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole;bis(3-(2-fluorophenyl)-5-methyl-2-[(3-piperidin-1-ylphenyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazole);piperidine?
The canonical SMILES for 2-[(3-chlorophenyl)methyl]-3-(2-fluorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole;bis(3-(2-fluorophenyl)-5-methyl-2-[(3-piperidin-1-ylphenyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazole);piperidine is C1CCNCC1.CN1Cc2nn(Cc3cccc(Cl)c3)c(-c3ccccc3F)c2C1.CN1Cc2nn(Cc3cccc(N4CCCCC4)c3)c(-c3ccccc3F)c2C1.CN1Cc2nn(Cc3cccc(N4CCCCC4)c3)c(-c3ccccc3F)c2C1.
What is the InChIKey of 2-[(3-chlorophenyl)methyl]-3-(2-fluorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole;bis(3-(2-fluorophenyl)-5-methyl-2-[(3-piperidin-1-ylphenyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazole);piperidine?
The InChIKey is DQOOLLXJONZKAG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H27FN4.C19H17ClFN3.C5H11N/c2*1-27-16-21-23(17-27)26-29(24(21)20-10-3-4-11-22(20)25)15-18-8-7-9-19(14-18)28-12-5-2-6-13-28;1-23-11-16-18(12-23)22-24(10-13-5-4-6-14(20)9-13)19(16)15-7-2-3-8-17(15)21;1-2-4-6-5-3-1/h2*3-4,7-11,14H,2,5-6,12-13,15-17H2,1H3;2-9H,10-12H2,1H3;6H,1-5H2.
What are the key properties of 2-[(3-chlorophenyl)methyl]-3-(2-fluorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole;bis(3-(2-fluorophenyl)-5-methyl-2-[(3-piperidin-1-ylphenyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazole);piperidine?
2-[(3-chlorophenyl)methyl]-3-(2-fluorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole;bis(3-(2-fluorophenyl)-5-methyl-2-[(3-piperidin-1-ylphenyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazole);piperidine has a molecular weight of 1207.98 g/mol, XLogP of 14.44, 11 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methyl]-3-(2-fluorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole;bis(3-(2-fluorophenyl)-5-methyl-2-[(3-piperidin-1-ylphenyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazole);piperidine is sourced from PubChem (CID 167560972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).