N-benzyl-N-ethyl-3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazole-5-carboxamide;N-benzyl-3-(5-fluoro-2-hydroxyphenyl)-N-methyl-1H-pyrazole-5-carboxamide;N-benzyl-3-(5-fluoro-2-hydroxyphenyl)-N-propan-2-yl-1H-pyrazole-5-carboxamide;N,N-dibenzyl-3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazole-5-carboxamide;1-[3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-5-yl]pentan-1-one;1-[3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-5-yl]-4-phenylbutan-1-one;methyl 2-benzyl-4-[3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-5-yl]-4-oxobutanoate

C135H125F7N18O16 — CID 161392107

IUPACN-benzyl-N-ethyl-3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazole-5-carboxamide;N-benzyl-3-(5-fluoro-2-hydroxyphenyl)-N-methyl-1H-pyrazole-5-carboxamide;N-benzyl-3-(5-fluoro-2-hydroxyphenyl)-N-propan-2-yl-1H-pyrazole-5-carboxamide;N,N-dibenzyl-3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazole-5-carboxamide;1-[3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-5-yl]pentan-1-one;1-[3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-5-yl]-4-phenylbutan-1-one;methyl 2-benzyl-4-[3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-5-yl]-4-oxobutanoate
SMILESCC(C)N(Cc1ccccc1)C(=O)c1cc(-c2cc(F)ccc2O)n[nH]1.CCCCC(=O)c1cc(-c2cc(F)ccc2O)n[nH]1.CCN(Cc1ccccc1)C(=O)c1cc(-c2cc(F)ccc2O)n[nH]1.CN(Cc1ccccc1)C(=O)c1cc(-c2cc(F)ccc2O)n[nH]1.COC(=O)C(CC(=O)c1cc(-c2cc(F)ccc2O)n[nH]1)Cc1ccccc1.O=C(CCCc1ccccc1)c1cc(-c2cc(F)ccc2O)n[nH]1.O=C(c1cc(-c2cc(F)ccc2O)n[nH]1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H20FN3O2.C21H19FN2O4.C20H20FN3O2.C19H18FN3O2.C19H17FN2O2.C18H16FN3O2.C14H15FN2O2/c25-19-11-12-23(29)20(13-19)21-14-22(27-26-21)24(30)28(15-17-7-3-1-4-8-17)16-18-9-5-2-6-10-18;1-28-21(27)14(9-13-5-3-2-4-6-13)10-20(26)18-12-17(23-24-18)16-11-15(22)7-8-19(16)25;1-13(2)24(12-14-6-4-3-5-7-14)20(26)18-11-17(22-23-18)16-10-15(21)8-9-19(16)25;1-2-23(12-13-6-4-3-5-7-13)19(25)17-11-16(21-22-17)15-10-14(20)8-9-18(15)24;20-14-9-10-18(23)15(11-14)16-12-17(22-21-16)19(24)8-4-7-13-5-2-1-3-6-13;1-22(11-12-5-3-2-4-6-12)18(24)16-10-15(20-21-16)14-9-13(19)7-8-17(14)23;1-2-3-4-14(19)12-8-11(16-17-12)10-7-9(15)5-6-13(10)18/h1-14,29H,15-16H2,(H,26,27);2-8,11-12,14,25H,9-10H2,1H3,(H,23,24);3-11,13,25H,12H2,1-2H3,(H,22,23);3-11,24H,2,12H2,1H3,(H,21,22);1-3,5-6,9-12,23H,4,7-8H2,(H,21,22);2-10,23H,11H2,1H3,(H,20,21);5-8,18H,2-4H2,1H3,(H,16,17)
InChIKeyVTCSRYYYRWFAFZ-UHFFFAOYSA-N
MW2388.58 g/mol
LogP26.46
Rot. Bonds38

About N-benzyl-N-ethyl-3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazole-5-carboxamide;N-benzyl-3-(5-fluoro-2-hydroxyphenyl)-N-methyl-1H-pyrazole-5-carboxamide;N-benzyl-3-(5-fluoro-2-hydroxyphenyl)-N-propan-2-yl-1H-pyrazole-5-carboxamide;N,N-dibenzyl-3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazole-5-carboxamide;1-[3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-5-yl]pentan-1-one;1-[3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-5-yl]-4-phenylbutan-1-one;methyl 2-benzyl-4-[3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-5-yl]-4-oxobutanoate

N-benzyl-N-ethyl-3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazole-5-carboxamide;N-benzyl-3-(5-fluoro-2-hydroxyphenyl)-N-methyl-1H-pyrazole-5-carboxamide;N-benzyl-3-(5-fluoro-2-hydroxyphenyl)-N-propan-2-yl-1H-pyrazole-5-carboxamide;N,N-dibenzyl-3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazole-5-carboxamide;1-[3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-5-yl]pentan-1-one;1-[3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-5-yl]-4-phenylbutan-1-one;methyl 2-benzyl-4-[3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-5-yl]-4-oxobutanoate (PubChem CID 161392107) has the molecular formula C135H125F7N18O16 and a molecular weight of 2388.58 g/mol. Its IUPAC name is N-benzyl-N-ethyl-3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazole-5-carboxamide;N-benzyl-3-(5-fluoro-2-hydroxyphenyl)-N-methyl-1H-pyrazole-5-carboxamide;N-benzyl-3-(5-fluoro-2-hydroxyphenyl)-N-propan-2-yl-1H-pyrazole-5-carboxamide;N,N-dibenzyl-3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazole-5-carboxamide;1-[3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-5-yl]pentan-1-one;1-[3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-5-yl]-4-phenylbutan-1-one;methyl 2-benzyl-4-[3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-5-yl]-4-oxobutanoate.

Molecular Properties

Compound NameN-benzyl-N-ethyl-3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazole-5-carboxamide;N-benzyl-3-(5-fluoro-2-hydroxyphenyl)-N-methyl-1H-pyrazole-5-carboxamide;N-benzyl-3-(5-fluoro-2-hydroxyphenyl)-N-propan-2-yl-1H-pyrazole-5-carboxamide;N,N-dibenzyl-3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazole-5-carboxamide;1-[3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-5-yl]pentan-1-one;1-[3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-5-yl]-4-phenylbutan-1-one;methyl 2-benzyl-4-[3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-5-yl]-4-oxobutanoate
PubChem CID161392107
Molecular FormulaC135H125F7N18O16
Molecular Weight2388.58 g/mol
Exact Mass2386.94
IUPAC NameN-benzyl-N-ethyl-3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazole-5-carboxamide;N-benzyl-3-(5-fluoro-2-hydroxyphenyl)-N-methyl-1H-pyrazole-5-carboxamide;N-benzyl-3-(5-fluoro-2-hydroxyphenyl)-N-propan-2-yl-1H-pyrazole-5-carboxamide;N,N-dibenzyl-3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazole-5-carboxamide;1-[3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-5-yl]pentan-1-one;1-[3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-5-yl]-4-phenylbutan-1-one;methyl 2-benzyl-4-[3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-5-yl]-4-oxobutanoate
SMILESCC(C)N(Cc1ccccc1)C(=O)c1cc(-c2cc(F)ccc2O)n[nH]1.CCCCC(=O)c1cc(-c2cc(F)ccc2O)n[nH]1.CCN(Cc1ccccc1)C(=O)c1cc(-c2cc(F)ccc2O)n[nH]1.CN(Cc1ccccc1)C(=O)c1cc(-c2cc(F)ccc2O)n[nH]1.COC(=O)C(CC(=O)c1cc(-c2cc(F)ccc2O)n[nH]1)Cc1ccccc1.O=C(CCCc1ccccc1)c1cc(-c2cc(F)ccc2O)n[nH]1.O=C(c1cc(-c2cc(F)ccc2O)n[nH]1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H20FN3O2.C21H19FN2O4.C20H20FN3O2.C19H18FN3O2.C19H17FN2O2.C18H16FN3O2.C14H15FN2O2/c25-19-11-12-23(29)20(13-19)21-14-22(27-26-21)24(30)28(15-17-7-3-1-4-8-17)16-18-9-5-2-6-10-18;1-28-21(27)14(9-13-5-3-2-4-6-13)10-20(26)18-12-17(23-24-18)16-11-15(22)7-8-19(16)25;1-13(2)24(12-14-6-4-3-5-7-14)20(26)18-11-17(22-23-18)16-10-15(21)8-9-19(16)25;1-2-23(12-13-6-4-3-5-7-13)19(25)17-11-16(21-22-17)15-10-14(20)8-9-18(15)24;20-14-9-10-18(23)15(11-14)16-12-17(22-21-16)19(24)8-4-7-13-5-2-1-3-6-13;1-22(11-12-5-3-2-4-6-12)18(24)16-10-15(20-21-16)14-9-13(19)7-8-17(14)23;1-2-3-4-14(19)12-8-11(16-17-12)10-7-9(15)5-6-13(10)18/h1-14,29H,15-16H2,(H,26,27);2-8,11-12,14,25H,9-10H2,1H3,(H,23,24);3-11,13,25H,12H2,1-2H3,(H,22,23);3-11,24H,2,12H2,1H3,(H,21,22);1-3,5-6,9-12,23H,4,7-8H2,(H,21,22);2-10,23H,11H2,1H3,(H,20,21);5-8,18H,2-4H2,1H3,(H,16,17)
InChIKeyVTCSRYYYRWFAFZ-UHFFFAOYSA-N
XLogP26.46
TPSA501.12 Ų
H-Bond Donors14
H-Bond Acceptors23
Rotatable Bonds38
Heavy Atoms176
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002388.58
LogP ≤ 526.46
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1023

Analyze N-benzyl-N-ethyl-3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazole-5-carboxamide;N-benzyl-3-(5-fluoro-2-hydroxyphenyl)-N-methyl-1H-pyrazole-5-carboxamide;N-benzyl-3-(5-fluoro-2-hydroxyphenyl)-N-propan-2-yl-1H-pyrazole-5-carboxamide;N,N-dibenzyl-3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazole-5-carboxamide;1-[3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-5-yl]pentan-1-one;1-[3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-5-yl]-4-phenylbutan-1-one;methyl 2-benzyl-4-[3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-5-yl]-4-oxobutanoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazole-5-carboxamide;N-benzyl-3-(5-fluoro-2-hydroxyphenyl)-N-methyl-1H-pyrazole-5-carboxamide;N-benzyl-3-(5-fluoro-2-hydroxyphenyl)-N-propan-2-yl-1H-pyrazole-5-carboxamide;N,N-dibenzyl-3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazole-5-carboxamide;1-[3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-5-yl]pentan-1-one;1-[3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-5-yl]-4-phenylbutan-1-one;methyl 2-benzyl-4-[3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-5-yl]-4-oxobutanoate?
The IUPAC name of N-benzyl-N-ethyl-3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazole-5-carboxamide;N-benzyl-3-(5-fluoro-2-hydroxyphenyl)-N-methyl-1H-pyrazole-5-carboxamide;N-benzyl-3-(5-fluoro-2-hydroxyphenyl)-N-propan-2-yl-1H-pyrazole-5-carboxamide;N,N-dibenzyl-3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazole-5-carboxamide;1-[3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-5-yl]pentan-1-one;1-[3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-5-yl]-4-phenylbutan-1-one;methyl 2-benzyl-4-[3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-5-yl]-4-oxobutanoate (CID 161392107) is N-benzyl-N-ethyl-3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazole-5-carboxamide;N-benzyl-3-(5-fluoro-2-hydroxyphenyl)-N-methyl-1H-pyrazole-5-carboxamide;N-benzyl-3-(5-fluoro-2-hydroxyphenyl)-N-propan-2-yl-1H-pyrazole-5-carboxamide;N,N-dibenzyl-3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazole-5-carboxamide;1-[3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-5-yl]pentan-1-one;1-[3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-5-yl]-4-phenylbutan-1-one;methyl 2-benzyl-4-[3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-5-yl]-4-oxobutanoate.
What is the SMILES notation for N-benzyl-N-ethyl-3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazole-5-carboxamide;N-benzyl-3-(5-fluoro-2-hydroxyphenyl)-N-methyl-1H-pyrazole-5-carboxamide;N-benzyl-3-(5-fluoro-2-hydroxyphenyl)-N-propan-2-yl-1H-pyrazole-5-carboxamide;N,N-dibenzyl-3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazole-5-carboxamide;1-[3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-5-yl]pentan-1-one;1-[3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-5-yl]-4-phenylbutan-1-one;methyl 2-benzyl-4-[3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-5-yl]-4-oxobutanoate?
The canonical SMILES for N-benzyl-N-ethyl-3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazole-5-carboxamide;N-benzyl-3-(5-fluoro-2-hydroxyphenyl)-N-methyl-1H-pyrazole-5-carboxamide;N-benzyl-3-(5-fluoro-2-hydroxyphenyl)-N-propan-2-yl-1H-pyrazole-5-carboxamide;N,N-dibenzyl-3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazole-5-carboxamide;1-[3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-5-yl]pentan-1-one;1-[3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-5-yl]-4-phenylbutan-1-one;methyl 2-benzyl-4-[3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-5-yl]-4-oxobutanoate is CC(C)N(Cc1ccccc1)C(=O)c1cc(-c2cc(F)ccc2O)n[nH]1.CCCCC(=O)c1cc(-c2cc(F)ccc2O)n[nH]1.CCN(Cc1ccccc1)C(=O)c1cc(-c2cc(F)ccc2O)n[nH]1.CN(Cc1ccccc1)C(=O)c1cc(-c2cc(F)ccc2O)n[nH]1.COC(=O)C(CC(=O)c1cc(-c2cc(F)ccc2O)n[nH]1)Cc1ccccc1.O=C(CCCc1ccccc1)c1cc(-c2cc(F)ccc2O)n[nH]1.O=C(c1cc(-c2cc(F)ccc2O)n[nH]1)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-ethyl-3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazole-5-carboxamide;N-benzyl-3-(5-fluoro-2-hydroxyphenyl)-N-methyl-1H-pyrazole-5-carboxamide;N-benzyl-3-(5-fluoro-2-hydroxyphenyl)-N-propan-2-yl-1H-pyrazole-5-carboxamide;N,N-dibenzyl-3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazole-5-carboxamide;1-[3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-5-yl]pentan-1-one;1-[3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-5-yl]-4-phenylbutan-1-one;methyl 2-benzyl-4-[3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-5-yl]-4-oxobutanoate?
The InChIKey is VTCSRYYYRWFAFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3O2.C21H19FN2O4.C20H20FN3O2.C19H18FN3O2.C19H17FN2O2.C18H16FN3O2.C14H15FN2O2/c25-19-11-12-23(29)20(13-19)21-14-22(27-26-21)24(30)28(15-17-7-3-1-4-8-17)16-18-9-5-2-6-10-18;1-28-21(27)14(9-13-5-3-2-4-6-13)10-20(26)18-12-17(23-24-18)16-11-15(22)7-8-19(16)25;1-13(2)24(12-14-6-4-3-5-7-14)20(26)18-11-17(22-23-18)16-10-15(21)8-9-19(16)25;1-2-23(12-13-6-4-3-5-7-13)19(25)17-11-16(21-22-17)15-10-14(20)8-9-18(15)24;20-14-9-10-18(23)15(11-14)16-12-17(22-21-16)19(24)8-4-7-13-5-2-1-3-6-13;1-22(11-12-5-3-2-4-6-12)18(24)16-10-15(20-21-16)14-9-13(19)7-8-17(14)23;1-2-3-4-14(19)12-8-11(16-17-12)10-7-9(15)5-6-13(10)18/h1-14,29H,15-16H2,(H,26,27);2-8,11-12,14,25H,9-10H2,1H3,(H,23,24);3-11,13,25H,12H2,1-2H3,(H,22,23);3-11,24H,2,12H2,1H3,(H,21,22);1-3,5-6,9-12,23H,4,7-8H2,(H,21,22);2-10,23H,11H2,1H3,(H,20,21);5-8,18H,2-4H2,1H3,(H,16,17).
What are the key properties of N-benzyl-N-ethyl-3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazole-5-carboxamide;N-benzyl-3-(5-fluoro-2-hydroxyphenyl)-N-methyl-1H-pyrazole-5-carboxamide;N-benzyl-3-(5-fluoro-2-hydroxyphenyl)-N-propan-2-yl-1H-pyrazole-5-carboxamide;N,N-dibenzyl-3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazole-5-carboxamide;1-[3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-5-yl]pentan-1-one;1-[3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-5-yl]-4-phenylbutan-1-one;methyl 2-benzyl-4-[3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-5-yl]-4-oxobutanoate?
N-benzyl-N-ethyl-3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazole-5-carboxamide;N-benzyl-3-(5-fluoro-2-hydroxyphenyl)-N-methyl-1H-pyrazole-5-carboxamide;N-benzyl-3-(5-fluoro-2-hydroxyphenyl)-N-propan-2-yl-1H-pyrazole-5-carboxamide;N,N-dibenzyl-3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazole-5-carboxamide;1-[3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-5-yl]pentan-1-one;1-[3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-5-yl]-4-phenylbutan-1-one;methyl 2-benzyl-4-[3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-5-yl]-4-oxobutanoate has a molecular weight of 2388.58 g/mol, XLogP of 26.46, 38 rotatable bonds, 14 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazole-5-carboxamide;N-benzyl-3-(5-fluoro-2-hydroxyphenyl)-N-methyl-1H-pyrazole-5-carboxamide;N-benzyl-3-(5-fluoro-2-hydroxyphenyl)-N-propan-2-yl-1H-pyrazole-5-carboxamide;N,N-dibenzyl-3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazole-5-carboxamide;1-[3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-5-yl]pentan-1-one;1-[3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-5-yl]-4-phenylbutan-1-one;methyl 2-benzyl-4-[3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-5-yl]-4-oxobutanoate is sourced from PubChem (CID 161392107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).