4-[2-(3,5-diphenylpyrazol-1-yl)acetyl]-1-(4-fluorophenyl)piperazin-2-one;4-[2-(3,5-diphenylpyrazol-1-yl)acetyl]-1-(3-methoxyphenyl)piperazin-2-one;N-[6-[2-(3,5-diphenylpyrazol-1-yl)acetyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-yl]acetamide;methyl 2-[2-(3,5-diphenylpyrazol-1-yl)acetyl]-3,4-dihydro-1H-isoquinoline-6-carboxylate

C109H99FN16O10S — CID 159233752

IUPAC4-[2-(3,5-diphenylpyrazol-1-yl)acetyl]-1-(4-fluorophenyl)piperazin-2-one;4-[2-(3,5-diphenylpyrazol-1-yl)acetyl]-1-(3-methoxyphenyl)piperazin-2-one;N-[6-[2-(3,5-diphenylpyrazol-1-yl)acetyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-yl]acetamide;methyl 2-[2-(3,5-diphenylpyrazol-1-yl)acetyl]-3,4-dihydro-1H-isoquinoline-6-carboxylate
SMILESCC(=O)Nc1nc2c(s1)CCN(C(=O)Cn1nc(-c3ccccc3)cc1-c1ccccc1)CC2.COC(=O)c1ccc2c(c1)CCN(C(=O)Cn1nc(-c3ccccc3)cc1-c1ccccc1)C2.COc1cccc(N2CCN(C(=O)Cn3nc(-c4ccccc4)cc3-c3ccccc3)CC2=O)c1.O=C(Cn1nc(-c2ccccc2)cc1-c1ccccc1)N1CCN(c2ccc(F)cc2)C(=O)C1
InChIInChI=1S/C28H26N4O3.C28H25N3O3.C27H23FN4O2.C26H25N5O2S/c1-35-24-14-8-13-23(17-24)31-16-15-30(19-28(31)34)27(33)20-32-26(22-11-6-3-7-12-22)18-25(29-32)21-9-4-2-5-10-21;1-34-28(33)23-12-13-24-18-30(15-14-22(24)16-23)27(32)19-31-26(21-10-6-3-7-11-21)17-25(29-31)20-8-4-2-5-9-20;28-22-11-13-23(14-12-22)31-16-15-30(18-27(31)34)26(33)19-32-25(21-9-5-2-6-10-21)17-24(29-32)20-7-3-1-4-8-20;1-18(32)27-26-28-21-12-14-30(15-13-24(21)34-26)25(33)17-31-23(20-10-6-3-7-11-20)16-22(29-31)19-8-4-2-5-9-19/h2-14,17-18H,15-16,19-20H2,1H3;2-13,16-17H,14-15,18-19H2,1H3;1-14,17H,15-16,18-19H2;2-11,16H,12-15,17H2,1H3,(H,27,28,32)
InChIKeyKTFITMXKURBLCW-UHFFFAOYSA-N
MW1844.16 g/mol
LogP17.18
Rot. Bonds21

About 4-[2-(3,5-diphenylpyrazol-1-yl)acetyl]-1-(4-fluorophenyl)piperazin-2-one;4-[2-(3,5-diphenylpyrazol-1-yl)acetyl]-1-(3-methoxyphenyl)piperazin-2-one;N-[6-[2-(3,5-diphenylpyrazol-1-yl)acetyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-yl]acetamide;methyl 2-[2-(3,5-diphenylpyrazol-1-yl)acetyl]-3,4-dihydro-1H-isoquinoline-6-carboxylate

4-[2-(3,5-diphenylpyrazol-1-yl)acetyl]-1-(4-fluorophenyl)piperazin-2-one;4-[2-(3,5-diphenylpyrazol-1-yl)acetyl]-1-(3-methoxyphenyl)piperazin-2-one;N-[6-[2-(3,5-diphenylpyrazol-1-yl)acetyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-yl]acetamide;methyl 2-[2-(3,5-diphenylpyrazol-1-yl)acetyl]-3,4-dihydro-1H-isoquinoline-6-carboxylate (PubChem CID 159233752) has the molecular formula C109H99FN16O10S and a molecular weight of 1844.16 g/mol. Its IUPAC name is 4-[2-(3,5-diphenylpyrazol-1-yl)acetyl]-1-(4-fluorophenyl)piperazin-2-one;4-[2-(3,5-diphenylpyrazol-1-yl)acetyl]-1-(3-methoxyphenyl)piperazin-2-one;N-[6-[2-(3,5-diphenylpyrazol-1-yl)acetyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-yl]acetamide;methyl 2-[2-(3,5-diphenylpyrazol-1-yl)acetyl]-3,4-dihydro-1H-isoquinoline-6-carboxylate.

Molecular Properties

Compound Name4-[2-(3,5-diphenylpyrazol-1-yl)acetyl]-1-(4-fluorophenyl)piperazin-2-one;4-[2-(3,5-diphenylpyrazol-1-yl)acetyl]-1-(3-methoxyphenyl)piperazin-2-one;N-[6-[2-(3,5-diphenylpyrazol-1-yl)acetyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-yl]acetamide;methyl 2-[2-(3,5-diphenylpyrazol-1-yl)acetyl]-3,4-dihydro-1H-isoquinoline-6-carboxylate
PubChem CID159233752
Molecular FormulaC109H99FN16O10S
Molecular Weight1844.16 g/mol
Exact Mass1842.74
IUPAC Name4-[2-(3,5-diphenylpyrazol-1-yl)acetyl]-1-(4-fluorophenyl)piperazin-2-one;4-[2-(3,5-diphenylpyrazol-1-yl)acetyl]-1-(3-methoxyphenyl)piperazin-2-one;N-[6-[2-(3,5-diphenylpyrazol-1-yl)acetyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-yl]acetamide;methyl 2-[2-(3,5-diphenylpyrazol-1-yl)acetyl]-3,4-dihydro-1H-isoquinoline-6-carboxylate
SMILESCC(=O)Nc1nc2c(s1)CCN(C(=O)Cn1nc(-c3ccccc3)cc1-c1ccccc1)CC2.COC(=O)c1ccc2c(c1)CCN(C(=O)Cn1nc(-c3ccccc3)cc1-c1ccccc1)C2.COc1cccc(N2CCN(C(=O)Cn3nc(-c4ccccc4)cc3-c3ccccc3)CC2=O)c1.O=C(Cn1nc(-c2ccccc2)cc1-c1ccccc1)N1CCN(c2ccc(F)cc2)C(=O)C1
InChIInChI=1S/C28H26N4O3.C28H25N3O3.C27H23FN4O2.C26H25N5O2S/c1-35-24-14-8-13-23(17-24)31-16-15-30(19-28(31)34)27(33)20-32-26(22-11-6-3-7-12-22)18-25(29-32)21-9-4-2-5-10-21;1-34-28(33)23-12-13-24-18-30(15-14-22(24)16-23)27(32)19-31-26(21-10-6-3-7-11-21)17-25(29-31)20-8-4-2-5-9-20;28-22-11-13-23(14-12-22)31-16-15-30(18-27(31)34)26(33)19-32-25(21-9-5-2-6-10-21)17-24(29-32)20-7-3-1-4-8-20;1-18(32)27-26-28-21-12-14-30(15-13-24(21)34-26)25(33)17-31-23(20-10-6-3-7-11-20)16-22(29-31)19-8-4-2-5-9-19/h2-14,17-18H,15-16,19-20H2,1H3;2-13,16-17H,14-15,18-19H2,1H3;1-14,17H,15-16,18-19H2;2-11,16H,12-15,17H2,1H3,(H,27,28,32)
InChIKeyKTFITMXKURBLCW-UHFFFAOYSA-N
XLogP17.18
TPSA270.66 Ų
H-Bond Donors1
H-Bond Acceptors20
Rotatable Bonds21
Heavy Atoms137
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001844.16
LogP ≤ 517.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1020

Analyze 4-[2-(3,5-diphenylpyrazol-1-yl)acetyl]-1-(4-fluorophenyl)piperazin-2-one;4-[2-(3,5-diphenylpyrazol-1-yl)acetyl]-1-(3-methoxyphenyl)piperazin-2-one;N-[6-[2-(3,5-diphenylpyrazol-1-yl)acetyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-yl]acetamide;methyl 2-[2-(3,5-diphenylpyrazol-1-yl)acetyl]-3,4-dihydro-1H-isoquinoline-6-carboxylate with MolForge

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Related Compounds

1-[5-[2-(3,5-diphenylpyrazol-1-yl)acetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-propan-2-ylurea;2-(3,5-diphenylpyrazol-1-yl)-1-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)ethanone;2-(3,5-diphenylpyrazol-1-yl)-1-(2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethanone;methyl 3-[2-(3,5-diphenylpyrazol-1-yl)acetyl]-1,2,4,5-tetrahydro-3-benzazepine-7-carboxylate
CID 159497134
1-(2-Amino-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)-2-[5-cyclohexyl-3-(3-methoxyphenyl)pyrazol-1-yl]ethanone;1-(2-amino-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)-2-[3-(4-fluoro-3-methylphenyl)-5-propan-2-ylpyrazol-1-yl]ethanone;4-[2-[5-cyclohexyl-3-(3-methoxyphenyl)pyrazol-1-yl]acetyl]-1-(3-methoxyphenyl)piperazin-2-one;2-[3-(4-fluoro-3-methoxyphenyl)-5-propan-2-ylpyrazol-1-yl]-1-(2-methyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)ethanone
CID 159948199
1-(2-Amino-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)-2-[3-(4-fluoro-3-methylphenyl)-5-propylpyrazol-1-yl]ethanone;2-[5-ethyl-3-(4-fluorophenyl)pyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)ethanone;4-[2-[3-(4-fluoro-3-methylphenyl)-5-propylpyrazol-1-yl]acetyl]-1-(3-methoxyphenyl)piperazin-2-one;2-[3-(4-fluoro-3-methylphenyl)-5-propylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)ethanone
CID 160431586
1-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]ethanone;1-(7-amino-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]ethanone;N-[6-[2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]acetyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-yl]acetamide;2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-(4,5,7,8-tetrahydrothieno[2,3-d]azepin-6-yl)ethanone;methyl 3-[2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]acetyl]-1,2,4,5-tetrahydro-3-benzazepine-7-carboxylate
CID 160609734
1-(2-Amino-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)-2-[5-ethyl-3-(4-fluorophenyl)pyrazol-1-yl]ethanone;4-[2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]acetyl]-1-(3-methoxyphenyl)piperazin-2-one;4-[2-[5-ethyl-3-(4-fluorophenyl)pyrazol-1-yl]acetyl]-1-(3-methoxyphenyl)piperazin-2-one;2-[5-ethyl-3-(4-fluorophenyl)pyrazol-1-yl]-1-(2-methyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)ethanone
CID 161030366
1-(2-amino-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)-2-[3-(4-methoxyphenyl)-5-propan-2-ylpyrazol-1-yl]ethanone;1-(5-methoxy-1,3-dihydroisoindol-2-yl)-2-[3-(4-methoxyphenyl)-5-propan-2-ylpyrazol-1-yl]ethanone;1-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[3-(4-methoxyphenyl)-5-propan-2-ylpyrazol-1-yl]ethanone;1-(3-methoxyphenyl)-4-[2-[3-(4-methoxyphenyl)-5-propan-2-ylpyrazol-1-yl]acetyl]piperazin-2-one
CID 161453337

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3,5-diphenylpyrazol-1-yl)acetyl]-1-(4-fluorophenyl)piperazin-2-one;4-[2-(3,5-diphenylpyrazol-1-yl)acetyl]-1-(3-methoxyphenyl)piperazin-2-one;N-[6-[2-(3,5-diphenylpyrazol-1-yl)acetyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-yl]acetamide;methyl 2-[2-(3,5-diphenylpyrazol-1-yl)acetyl]-3,4-dihydro-1H-isoquinoline-6-carboxylate?
The IUPAC name of 4-[2-(3,5-diphenylpyrazol-1-yl)acetyl]-1-(4-fluorophenyl)piperazin-2-one;4-[2-(3,5-diphenylpyrazol-1-yl)acetyl]-1-(3-methoxyphenyl)piperazin-2-one;N-[6-[2-(3,5-diphenylpyrazol-1-yl)acetyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-yl]acetamide;methyl 2-[2-(3,5-diphenylpyrazol-1-yl)acetyl]-3,4-dihydro-1H-isoquinoline-6-carboxylate (CID 159233752) is 4-[2-(3,5-diphenylpyrazol-1-yl)acetyl]-1-(4-fluorophenyl)piperazin-2-one;4-[2-(3,5-diphenylpyrazol-1-yl)acetyl]-1-(3-methoxyphenyl)piperazin-2-one;N-[6-[2-(3,5-diphenylpyrazol-1-yl)acetyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-yl]acetamide;methyl 2-[2-(3,5-diphenylpyrazol-1-yl)acetyl]-3,4-dihydro-1H-isoquinoline-6-carboxylate.
What is the SMILES notation for 4-[2-(3,5-diphenylpyrazol-1-yl)acetyl]-1-(4-fluorophenyl)piperazin-2-one;4-[2-(3,5-diphenylpyrazol-1-yl)acetyl]-1-(3-methoxyphenyl)piperazin-2-one;N-[6-[2-(3,5-diphenylpyrazol-1-yl)acetyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-yl]acetamide;methyl 2-[2-(3,5-diphenylpyrazol-1-yl)acetyl]-3,4-dihydro-1H-isoquinoline-6-carboxylate?
The canonical SMILES for 4-[2-(3,5-diphenylpyrazol-1-yl)acetyl]-1-(4-fluorophenyl)piperazin-2-one;4-[2-(3,5-diphenylpyrazol-1-yl)acetyl]-1-(3-methoxyphenyl)piperazin-2-one;N-[6-[2-(3,5-diphenylpyrazol-1-yl)acetyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-yl]acetamide;methyl 2-[2-(3,5-diphenylpyrazol-1-yl)acetyl]-3,4-dihydro-1H-isoquinoline-6-carboxylate is CC(=O)Nc1nc2c(s1)CCN(C(=O)Cn1nc(-c3ccccc3)cc1-c1ccccc1)CC2.COC(=O)c1ccc2c(c1)CCN(C(=O)Cn1nc(-c3ccccc3)cc1-c1ccccc1)C2.COc1cccc(N2CCN(C(=O)Cn3nc(-c4ccccc4)cc3-c3ccccc3)CC2=O)c1.O=C(Cn1nc(-c2ccccc2)cc1-c1ccccc1)N1CCN(c2ccc(F)cc2)C(=O)C1.
What is the InChIKey of 4-[2-(3,5-diphenylpyrazol-1-yl)acetyl]-1-(4-fluorophenyl)piperazin-2-one;4-[2-(3,5-diphenylpyrazol-1-yl)acetyl]-1-(3-methoxyphenyl)piperazin-2-one;N-[6-[2-(3,5-diphenylpyrazol-1-yl)acetyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-yl]acetamide;methyl 2-[2-(3,5-diphenylpyrazol-1-yl)acetyl]-3,4-dihydro-1H-isoquinoline-6-carboxylate?
The InChIKey is KTFITMXKURBLCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4O3.C28H25N3O3.C27H23FN4O2.C26H25N5O2S/c1-35-24-14-8-13-23(17-24)31-16-15-30(19-28(31)34)27(33)20-32-26(22-11-6-3-7-12-22)18-25(29-32)21-9-4-2-5-10-21;1-34-28(33)23-12-13-24-18-30(15-14-22(24)16-23)27(32)19-31-26(21-10-6-3-7-11-21)17-25(29-31)20-8-4-2-5-9-20;28-22-11-13-23(14-12-22)31-16-15-30(18-27(31)34)26(33)19-32-25(21-9-5-2-6-10-21)17-24(29-32)20-7-3-1-4-8-20;1-18(32)27-26-28-21-12-14-30(15-13-24(21)34-26)25(33)17-31-23(20-10-6-3-7-11-20)16-22(29-31)19-8-4-2-5-9-19/h2-14,17-18H,15-16,19-20H2,1H3;2-13,16-17H,14-15,18-19H2,1H3;1-14,17H,15-16,18-19H2;2-11,16H,12-15,17H2,1H3,(H,27,28,32).
What are the key properties of 4-[2-(3,5-diphenylpyrazol-1-yl)acetyl]-1-(4-fluorophenyl)piperazin-2-one;4-[2-(3,5-diphenylpyrazol-1-yl)acetyl]-1-(3-methoxyphenyl)piperazin-2-one;N-[6-[2-(3,5-diphenylpyrazol-1-yl)acetyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-yl]acetamide;methyl 2-[2-(3,5-diphenylpyrazol-1-yl)acetyl]-3,4-dihydro-1H-isoquinoline-6-carboxylate?
4-[2-(3,5-diphenylpyrazol-1-yl)acetyl]-1-(4-fluorophenyl)piperazin-2-one;4-[2-(3,5-diphenylpyrazol-1-yl)acetyl]-1-(3-methoxyphenyl)piperazin-2-one;N-[6-[2-(3,5-diphenylpyrazol-1-yl)acetyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-yl]acetamide;methyl 2-[2-(3,5-diphenylpyrazol-1-yl)acetyl]-3,4-dihydro-1H-isoquinoline-6-carboxylate has a molecular weight of 1844.16 g/mol, XLogP of 17.18, 21 rotatable bonds, 1 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3,5-diphenylpyrazol-1-yl)acetyl]-1-(4-fluorophenyl)piperazin-2-one;4-[2-(3,5-diphenylpyrazol-1-yl)acetyl]-1-(3-methoxyphenyl)piperazin-2-one;N-[6-[2-(3,5-diphenylpyrazol-1-yl)acetyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-yl]acetamide;methyl 2-[2-(3,5-diphenylpyrazol-1-yl)acetyl]-3,4-dihydro-1H-isoquinoline-6-carboxylate is sourced from PubChem (CID 159233752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).