5-[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidin-3-yl]-3-(4-methylphenyl)-1H-pyrazole;3-(4-fluorophenyl)-4-[5-(3-methylphenyl)-2H-pyrrol-3-yl]-1-(2-phenylethyl)piperidine;2-[4-[1-methyl-3-(4-methylphenyl)pyrazol-5-yl]-1-(2-phenylethyl)piperidin-4-yl]pyridine;2-[4-[1-methyl-5-(4-methylphenyl)pyrazol-3-yl]-1-(2-phenylethyl)piperidin-4-yl]pyridine;4-[1-methyl-3-(4-methylphenyl)pyrazol-5-yl]-4-phenyl-1-(2-phenylethyl)piperidine

C142H155F3N16 — CID 159547399

IUPAC5-[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidin-3-yl]-3-(4-methylphenyl)-1H-pyrazole;3-(4-fluorophenyl)-4-[5-(3-methylphenyl)-2H-pyrrol-3-yl]-1-(2-phenylethyl)piperidine;2-[4-[1-methyl-3-(4-methylphenyl)pyrazol-5-yl]-1-(2-phenylethyl)piperidin-4-yl]pyridine;2-[4-[1-methyl-5-(4-methylphenyl)pyrazol-3-yl]-1-(2-phenylethyl)piperidin-4-yl]pyridine;4-[1-methyl-3-(4-methylphenyl)pyrazol-5-yl]-4-phenyl-1-(2-phenylethyl)piperidine
SMILESCc1ccc(-c2cc(C3(c4ccccc4)CCN(CCc4ccccc4)CC3)n(C)n2)cc1.Cc1ccc(-c2cc(C3(c4ccccn4)CCN(CCc4ccccc4)CC3)n(C)n2)cc1.Cc1ccc(-c2cc(C3(c4ccccn4)CCN(CCc4ccccc4)CC3)nn2C)cc1.Cc1ccc(-c2cc([C@@H]3CN(C(C)(C)C)C[C@H]3c3ccc(F)cc3F)[nH]n2)cc1.Cc1cccc(C2=NCC(C3CCN(CCc4ccccc4)CC3c3ccc(F)cc3)=C2)c1
InChIInChI=1S/C30H31FN2.C30H33N3.2C29H32N4.C24H27F2N3/c1-22-6-5-9-25(18-22)30-19-26(20-32-30)28-15-17-33(16-14-23-7-3-2-4-8-23)21-29(28)24-10-12-27(31)13-11-24;1-24-13-15-26(16-14-24)28-23-29(32(2)31-28)30(27-11-7-4-8-12-27)18-21-33(22-19-30)20-17-25-9-5-3-6-10-25;1-23-11-13-25(14-12-23)26-22-28(31-32(26)2)29(27-10-6-7-18-30-27)16-20-33(21-17-29)19-15-24-8-4-3-5-9-24;1-23-11-13-25(14-12-23)26-22-28(32(2)31-26)29(27-10-6-7-18-30-27)16-20-33(21-17-29)19-15-24-8-4-3-5-9-24;1-15-5-7-16(8-6-15)22-12-23(28-27-22)20-14-29(24(2,3)4)13-19(20)18-10-9-17(25)11-21(18)26/h2-13,18-19,28-29H,14-17,20-21H2,1H3;3-16,23H,17-22H2,1-2H3;2*3-14,18,22H,15-17,19-21H2,1-2H3;5-12,19-20H,13-14H2,1-4H3,(H,27,28)/t;;;;19-,20+/m....0/s1
InChIKeyMEYUXIIEUPGQRB-DODKKJROSA-N
MW2142.91 g/mol
LogP28.71
Rot. Bonds27

About 5-[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidin-3-yl]-3-(4-methylphenyl)-1H-pyrazole;3-(4-fluorophenyl)-4-[5-(3-methylphenyl)-2H-pyrrol-3-yl]-1-(2-phenylethyl)piperidine;2-[4-[1-methyl-3-(4-methylphenyl)pyrazol-5-yl]-1-(2-phenylethyl)piperidin-4-yl]pyridine;2-[4-[1-methyl-5-(4-methylphenyl)pyrazol-3-yl]-1-(2-phenylethyl)piperidin-4-yl]pyridine;4-[1-methyl-3-(4-methylphenyl)pyrazol-5-yl]-4-phenyl-1-(2-phenylethyl)piperidine

5-[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidin-3-yl]-3-(4-methylphenyl)-1H-pyrazole;3-(4-fluorophenyl)-4-[5-(3-methylphenyl)-2H-pyrrol-3-yl]-1-(2-phenylethyl)piperidine;2-[4-[1-methyl-3-(4-methylphenyl)pyrazol-5-yl]-1-(2-phenylethyl)piperidin-4-yl]pyridine;2-[4-[1-methyl-5-(4-methylphenyl)pyrazol-3-yl]-1-(2-phenylethyl)piperidin-4-yl]pyridine;4-[1-methyl-3-(4-methylphenyl)pyrazol-5-yl]-4-phenyl-1-(2-phenylethyl)piperidine (PubChem CID 159547399) has the molecular formula C142H155F3N16 and a molecular weight of 2142.91 g/mol. Its IUPAC name is 5-[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidin-3-yl]-3-(4-methylphenyl)-1H-pyrazole;3-(4-fluorophenyl)-4-[5-(3-methylphenyl)-2H-pyrrol-3-yl]-1-(2-phenylethyl)piperidine;2-[4-[1-methyl-3-(4-methylphenyl)pyrazol-5-yl]-1-(2-phenylethyl)piperidin-4-yl]pyridine;2-[4-[1-methyl-5-(4-methylphenyl)pyrazol-3-yl]-1-(2-phenylethyl)piperidin-4-yl]pyridine;4-[1-methyl-3-(4-methylphenyl)pyrazol-5-yl]-4-phenyl-1-(2-phenylethyl)piperidine.

Molecular Properties

Compound Name5-[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidin-3-yl]-3-(4-methylphenyl)-1H-pyrazole;3-(4-fluorophenyl)-4-[5-(3-methylphenyl)-2H-pyrrol-3-yl]-1-(2-phenylethyl)piperidine;2-[4-[1-methyl-3-(4-methylphenyl)pyrazol-5-yl]-1-(2-phenylethyl)piperidin-4-yl]pyridine;2-[4-[1-methyl-5-(4-methylphenyl)pyrazol-3-yl]-1-(2-phenylethyl)piperidin-4-yl]pyridine;4-[1-methyl-3-(4-methylphenyl)pyrazol-5-yl]-4-phenyl-1-(2-phenylethyl)piperidine
PubChem CID159547399
Molecular FormulaC142H155F3N16
Molecular Weight2142.91 g/mol
Exact Mass2141.26
IUPAC Name5-[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidin-3-yl]-3-(4-methylphenyl)-1H-pyrazole;3-(4-fluorophenyl)-4-[5-(3-methylphenyl)-2H-pyrrol-3-yl]-1-(2-phenylethyl)piperidine;2-[4-[1-methyl-3-(4-methylphenyl)pyrazol-5-yl]-1-(2-phenylethyl)piperidin-4-yl]pyridine;2-[4-[1-methyl-5-(4-methylphenyl)pyrazol-3-yl]-1-(2-phenylethyl)piperidin-4-yl]pyridine;4-[1-methyl-3-(4-methylphenyl)pyrazol-5-yl]-4-phenyl-1-(2-phenylethyl)piperidine
SMILESCc1ccc(-c2cc(C3(c4ccccc4)CCN(CCc4ccccc4)CC3)n(C)n2)cc1.Cc1ccc(-c2cc(C3(c4ccccn4)CCN(CCc4ccccc4)CC3)n(C)n2)cc1.Cc1ccc(-c2cc(C3(c4ccccn4)CCN(CCc4ccccc4)CC3)nn2C)cc1.Cc1ccc(-c2cc([C@@H]3CN(C(C)(C)C)C[C@H]3c3ccc(F)cc3F)[nH]n2)cc1.Cc1cccc(C2=NCC(C3CCN(CCc4ccccc4)CC3c3ccc(F)cc3)=C2)c1
InChIInChI=1S/C30H31FN2.C30H33N3.2C29H32N4.C24H27F2N3/c1-22-6-5-9-25(18-22)30-19-26(20-32-30)28-15-17-33(16-14-23-7-3-2-4-8-23)21-29(28)24-10-12-27(31)13-11-24;1-24-13-15-26(16-14-24)28-23-29(32(2)31-28)30(27-11-7-4-8-12-27)18-21-33(22-19-30)20-17-25-9-5-3-6-10-25;1-23-11-13-25(14-12-23)26-22-28(31-32(26)2)29(27-10-6-7-18-30-27)16-20-33(21-17-29)19-15-24-8-4-3-5-9-24;1-23-11-13-25(14-12-23)26-22-28(32(2)31-26)29(27-10-6-7-18-30-27)16-20-33(21-17-29)19-15-24-8-4-3-5-9-24;1-15-5-7-16(8-6-15)22-12-23(28-27-22)20-14-29(24(2,3)4)13-19(20)18-10-9-17(25)11-21(18)26/h2-13,18-19,28-29H,14-17,20-21H2,1H3;3-16,23H,17-22H2,1-2H3;2*3-14,18,22H,15-17,19-21H2,1-2H3;5-12,19-20H,13-14H2,1-4H3,(H,27,28)/t;;;;19-,20+/m....0/s1
InChIKeyMEYUXIIEUPGQRB-DODKKJROSA-N
XLogP28.71
TPSA136.48 Ų
H-Bond Donors1
H-Bond Acceptors15
Rotatable Bonds27
Heavy Atoms161
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002142.91
LogP ≤ 528.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1015

Analyze 5-[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidin-3-yl]-3-(4-methylphenyl)-1H-pyrazole;3-(4-fluorophenyl)-4-[5-(3-methylphenyl)-2H-pyrrol-3-yl]-1-(2-phenylethyl)piperidine;2-[4-[1-methyl-3-(4-methylphenyl)pyrazol-5-yl]-1-(2-phenylethyl)piperidin-4-yl]pyridine;2-[4-[1-methyl-5-(4-methylphenyl)pyrazol-3-yl]-1-(2-phenylethyl)piperidin-4-yl]pyridine;4-[1-methyl-3-(4-methylphenyl)pyrazol-5-yl]-4-phenyl-1-(2-phenylethyl)piperidine with MolForge

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Related Compounds

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5-[2-[3,5-bis[2-[6-[3-(trifluoromethyl)-1H-pyrazol-5-yl]pyridin-3-yl]phenyl]phenyl]phenyl]-2-[3-(trifluoromethyl)-1H-pyrazol-5-yl]pyridine
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(Z)-2-benzyl-3-imino-1-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]prop-1-en-1-amine;4-(4-benzyl-1H-pyrazol-5-yl)-1-(cyclohexylmethyl)piperidine;4-[[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyridine
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5-[2-[2-fluoro-4-[[6-[2-fluoro-4-[6-(3-fluoro-4-methylphenyl)-5-(1H-indazol-5-yl)-3-pyridinyl]-5-methylphenyl]-5-(1H-indazol-5-yl)-3-pyridinyl]methyl]phenyl]-3-pyridinyl]-1H-indazole
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CID 157436549
4-tert-butyl-4-(isocyanomethyl)-1-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[(4-pyrazol-1-ylphenyl)methyl]piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[[4-(1H-pyrazol-5-yl)phenyl]methyl]piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[(4-pyrrolidin-1-ylphenyl)methyl]piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[[4-[1-(trifluoromethyl)pyrazol-3-yl]phenyl]methyl]piperidine
CID 157502516
1-tert-butyl-4-cyclohexylpiperazine;5-tert-butyl-2-cyclopropylpyridine;1-tert-butyl-3-fluorobenzene;4-tert-butyl-1-methyl-3,6-dihydro-2H-pyridine;2-tert-butyl-1-methylimidazole;1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;3-tert-butyl-5-methyl-1H-pyrazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-1-methylpyrazole;5-tert-butyl-2-(piperidin-1-ylmethyl)pyridine;4-tert-butyl-1H-pyrazole;3-tert-butylpyridine;1-[(5-tert-butyl-2-pyridinyl)methyl]-4-methylpiperazine;5-tert-butylpyrimidine;1-tert-butyl-3-(trifluoromethyl)benzene
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2-[3-(1,2-Dimethylpyrazol-1-ium-3-yl)-4,6-difluoro-2-methylphenyl]-1-methylpyridin-1-ium;2-[3-(1,2-dimethylpyrazol-1-ium-3-yl)-2-methyl-5-(trifluoromethyl)phenyl]-1-methylpyridin-1-ium;2-[3-(1,2-dimethylpyrazol-1-ium-3-yl)-2,4,6-trimethylphenyl]-1-methylpyridin-1-ium
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Frequently Asked Questions

What is the IUPAC name of 5-[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidin-3-yl]-3-(4-methylphenyl)-1H-pyrazole;3-(4-fluorophenyl)-4-[5-(3-methylphenyl)-2H-pyrrol-3-yl]-1-(2-phenylethyl)piperidine;2-[4-[1-methyl-3-(4-methylphenyl)pyrazol-5-yl]-1-(2-phenylethyl)piperidin-4-yl]pyridine;2-[4-[1-methyl-5-(4-methylphenyl)pyrazol-3-yl]-1-(2-phenylethyl)piperidin-4-yl]pyridine;4-[1-methyl-3-(4-methylphenyl)pyrazol-5-yl]-4-phenyl-1-(2-phenylethyl)piperidine?
The IUPAC name of 5-[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidin-3-yl]-3-(4-methylphenyl)-1H-pyrazole;3-(4-fluorophenyl)-4-[5-(3-methylphenyl)-2H-pyrrol-3-yl]-1-(2-phenylethyl)piperidine;2-[4-[1-methyl-3-(4-methylphenyl)pyrazol-5-yl]-1-(2-phenylethyl)piperidin-4-yl]pyridine;2-[4-[1-methyl-5-(4-methylphenyl)pyrazol-3-yl]-1-(2-phenylethyl)piperidin-4-yl]pyridine;4-[1-methyl-3-(4-methylphenyl)pyrazol-5-yl]-4-phenyl-1-(2-phenylethyl)piperidine (CID 159547399) is 5-[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidin-3-yl]-3-(4-methylphenyl)-1H-pyrazole;3-(4-fluorophenyl)-4-[5-(3-methylphenyl)-2H-pyrrol-3-yl]-1-(2-phenylethyl)piperidine;2-[4-[1-methyl-3-(4-methylphenyl)pyrazol-5-yl]-1-(2-phenylethyl)piperidin-4-yl]pyridine;2-[4-[1-methyl-5-(4-methylphenyl)pyrazol-3-yl]-1-(2-phenylethyl)piperidin-4-yl]pyridine;4-[1-methyl-3-(4-methylphenyl)pyrazol-5-yl]-4-phenyl-1-(2-phenylethyl)piperidine.
What is the SMILES notation for 5-[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidin-3-yl]-3-(4-methylphenyl)-1H-pyrazole;3-(4-fluorophenyl)-4-[5-(3-methylphenyl)-2H-pyrrol-3-yl]-1-(2-phenylethyl)piperidine;2-[4-[1-methyl-3-(4-methylphenyl)pyrazol-5-yl]-1-(2-phenylethyl)piperidin-4-yl]pyridine;2-[4-[1-methyl-5-(4-methylphenyl)pyrazol-3-yl]-1-(2-phenylethyl)piperidin-4-yl]pyridine;4-[1-methyl-3-(4-methylphenyl)pyrazol-5-yl]-4-phenyl-1-(2-phenylethyl)piperidine?
The canonical SMILES for 5-[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidin-3-yl]-3-(4-methylphenyl)-1H-pyrazole;3-(4-fluorophenyl)-4-[5-(3-methylphenyl)-2H-pyrrol-3-yl]-1-(2-phenylethyl)piperidine;2-[4-[1-methyl-3-(4-methylphenyl)pyrazol-5-yl]-1-(2-phenylethyl)piperidin-4-yl]pyridine;2-[4-[1-methyl-5-(4-methylphenyl)pyrazol-3-yl]-1-(2-phenylethyl)piperidin-4-yl]pyridine;4-[1-methyl-3-(4-methylphenyl)pyrazol-5-yl]-4-phenyl-1-(2-phenylethyl)piperidine is Cc1ccc(-c2cc(C3(c4ccccc4)CCN(CCc4ccccc4)CC3)n(C)n2)cc1.Cc1ccc(-c2cc(C3(c4ccccn4)CCN(CCc4ccccc4)CC3)n(C)n2)cc1.Cc1ccc(-c2cc(C3(c4ccccn4)CCN(CCc4ccccc4)CC3)nn2C)cc1.Cc1ccc(-c2cc([C@@H]3CN(C(C)(C)C)C[C@H]3c3ccc(F)cc3F)[nH]n2)cc1.Cc1cccc(C2=NCC(C3CCN(CCc4ccccc4)CC3c3ccc(F)cc3)=C2)c1.
What is the InChIKey of 5-[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidin-3-yl]-3-(4-methylphenyl)-1H-pyrazole;3-(4-fluorophenyl)-4-[5-(3-methylphenyl)-2H-pyrrol-3-yl]-1-(2-phenylethyl)piperidine;2-[4-[1-methyl-3-(4-methylphenyl)pyrazol-5-yl]-1-(2-phenylethyl)piperidin-4-yl]pyridine;2-[4-[1-methyl-5-(4-methylphenyl)pyrazol-3-yl]-1-(2-phenylethyl)piperidin-4-yl]pyridine;4-[1-methyl-3-(4-methylphenyl)pyrazol-5-yl]-4-phenyl-1-(2-phenylethyl)piperidine?
The InChIKey is MEYUXIIEUPGQRB-DODKKJROSA-N. The full InChI is InChI=1S/C30H31FN2.C30H33N3.2C29H32N4.C24H27F2N3/c1-22-6-5-9-25(18-22)30-19-26(20-32-30)28-15-17-33(16-14-23-7-3-2-4-8-23)21-29(28)24-10-12-27(31)13-11-24;1-24-13-15-26(16-14-24)28-23-29(32(2)31-28)30(27-11-7-4-8-12-27)18-21-33(22-19-30)20-17-25-9-5-3-6-10-25;1-23-11-13-25(14-12-23)26-22-28(31-32(26)2)29(27-10-6-7-18-30-27)16-20-33(21-17-29)19-15-24-8-4-3-5-9-24;1-23-11-13-25(14-12-23)26-22-28(32(2)31-26)29(27-10-6-7-18-30-27)16-20-33(21-17-29)19-15-24-8-4-3-5-9-24;1-15-5-7-16(8-6-15)22-12-23(28-27-22)20-14-29(24(2,3)4)13-19(20)18-10-9-17(25)11-21(18)26/h2-13,18-19,28-29H,14-17,20-21H2,1H3;3-16,23H,17-22H2,1-2H3;2*3-14,18,22H,15-17,19-21H2,1-2H3;5-12,19-20H,13-14H2,1-4H3,(H,27,28)/t;;;;19-,20+/m....0/s1.
What are the key properties of 5-[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidin-3-yl]-3-(4-methylphenyl)-1H-pyrazole;3-(4-fluorophenyl)-4-[5-(3-methylphenyl)-2H-pyrrol-3-yl]-1-(2-phenylethyl)piperidine;2-[4-[1-methyl-3-(4-methylphenyl)pyrazol-5-yl]-1-(2-phenylethyl)piperidin-4-yl]pyridine;2-[4-[1-methyl-5-(4-methylphenyl)pyrazol-3-yl]-1-(2-phenylethyl)piperidin-4-yl]pyridine;4-[1-methyl-3-(4-methylphenyl)pyrazol-5-yl]-4-phenyl-1-(2-phenylethyl)piperidine?
5-[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidin-3-yl]-3-(4-methylphenyl)-1H-pyrazole;3-(4-fluorophenyl)-4-[5-(3-methylphenyl)-2H-pyrrol-3-yl]-1-(2-phenylethyl)piperidine;2-[4-[1-methyl-3-(4-methylphenyl)pyrazol-5-yl]-1-(2-phenylethyl)piperidin-4-yl]pyridine;2-[4-[1-methyl-5-(4-methylphenyl)pyrazol-3-yl]-1-(2-phenylethyl)piperidin-4-yl]pyridine;4-[1-methyl-3-(4-methylphenyl)pyrazol-5-yl]-4-phenyl-1-(2-phenylethyl)piperidine has a molecular weight of 2142.91 g/mol, XLogP of 28.71, 27 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidin-3-yl]-3-(4-methylphenyl)-1H-pyrazole;3-(4-fluorophenyl)-4-[5-(3-methylphenyl)-2H-pyrrol-3-yl]-1-(2-phenylethyl)piperidine;2-[4-[1-methyl-3-(4-methylphenyl)pyrazol-5-yl]-1-(2-phenylethyl)piperidin-4-yl]pyridine;2-[4-[1-methyl-5-(4-methylphenyl)pyrazol-3-yl]-1-(2-phenylethyl)piperidin-4-yl]pyridine;4-[1-methyl-3-(4-methylphenyl)pyrazol-5-yl]-4-phenyl-1-(2-phenylethyl)piperidine is sourced from PubChem (CID 159547399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).