1-(2-amino-2-oxoethyl)-3-[3-[2-(2,2,3,3,3-pentafluoropropoxy)phenyl]phenyl]pyrazole-5-carboxamide;3-[3-(1-benzothiophen-7-yl)phenyl]-1H-pyrazole-5-carboxamide;3-[3-[5-fluoro-2-(2,2,3,3,3-pentafluoropropoxy)phenyl]phenyl]-1H-pyrazole-5-carboxamide;3-[3-[5-fluoro-2-(2,2,3,3,3-pentafluoropropoxy)phenyl]phenyl]-1H-pyrazole-5-carboxylic acid;3-[3-(2-phenylphenyl)phenyl]-1H-pyrazole-5-carboxamide;3-(3-pyridin-4-ylphenyl)-1H-pyrazole-5-carboxamide

C114H84F17N19O11S — CID 158276481

IUPAC1-(2-amino-2-oxoethyl)-3-[3-[2-(2,2,3,3,3-pentafluoropropoxy)phenyl]phenyl]pyrazole-5-carboxamide;3-[3-(1-benzothiophen-7-yl)phenyl]-1H-pyrazole-5-carboxamide;3-[3-[5-fluoro-2-(2,2,3,3,3-pentafluoropropoxy)phenyl]phenyl]-1H-pyrazole-5-carboxamide;3-[3-[5-fluoro-2-(2,2,3,3,3-pentafluoropropoxy)phenyl]phenyl]-1H-pyrazole-5-carboxylic acid;3-[3-(2-phenylphenyl)phenyl]-1H-pyrazole-5-carboxamide;3-(3-pyridin-4-ylphenyl)-1H-pyrazole-5-carboxamide
SMILESNC(=O)Cn1nc(-c2cccc(-c3ccccc3OCC(F)(F)C(F)(F)F)c2)cc1C(N)=O.NC(=O)c1cc(-c2cccc(-c3cc(F)ccc3OCC(F)(F)C(F)(F)F)c2)n[nH]1.NC(=O)c1cc(-c2cccc(-c3cccc4ccsc34)c2)n[nH]1.NC(=O)c1cc(-c2cccc(-c3ccccc3-c3ccccc3)c2)n[nH]1.NC(=O)c1cc(-c2cccc(-c3ccncc3)c2)n[nH]1.O=C(O)c1cc(-c2cccc(-c3cc(F)ccc3OCC(F)(F)C(F)(F)F)c2)n[nH]1
InChIInChI=1S/C22H17N3O.C21H17F5N4O3.C19H13F6N3O2.C19H12F6N2O3.C18H13N3OS.C15H12N4O/c23-22(26)21-14-20(24-25-21)17-10-6-9-16(13-17)19-12-5-4-11-18(19)15-7-2-1-3-8-15;22-20(23,21(24,25)26)11-33-17-7-2-1-6-14(17)12-4-3-5-13(8-12)15-9-16(19(28)32)30(29-15)10-18(27)31;20-12-4-5-16(30-9-18(21,22)19(23,24)25)13(7-12)10-2-1-3-11(6-10)14-8-15(17(26)29)28-27-14;20-12-4-5-16(30-9-18(21,22)19(23,24)25)13(7-12)10-2-1-3-11(6-10)14-8-15(17(28)29)27-26-14;19-18(22)16-10-15(20-21-16)13-5-1-4-12(9-13)14-6-2-3-11-7-8-23-17(11)14;16-15(20)14-9-13(18-19-14)12-3-1-2-11(8-12)10-4-6-17-7-5-10/h1-14H,(H2,23,26)(H,24,25);1-9H,10-11H2,(H2,27,31)(H2,28,32);1-8H,9H2,(H2,26,29)(H,27,28);1-8H,9H2,(H,26,27)(H,28,29);1-10H,(H2,19,22)(H,20,21);1-9H,(H2,16,20)(H,18,19)
InChIKeyGJRAAWRFJQSOOZ-UHFFFAOYSA-N
MW2251.08 g/mol
LogP23.90
Rot. Bonds30

About 1-(2-amino-2-oxoethyl)-3-[3-[2-(2,2,3,3,3-pentafluoropropoxy)phenyl]phenyl]pyrazole-5-carboxamide;3-[3-(1-benzothiophen-7-yl)phenyl]-1H-pyrazole-5-carboxamide;3-[3-[5-fluoro-2-(2,2,3,3,3-pentafluoropropoxy)phenyl]phenyl]-1H-pyrazole-5-carboxamide;3-[3-[5-fluoro-2-(2,2,3,3,3-pentafluoropropoxy)phenyl]phenyl]-1H-pyrazole-5-carboxylic acid;3-[3-(2-phenylphenyl)phenyl]-1H-pyrazole-5-carboxamide;3-(3-pyridin-4-ylphenyl)-1H-pyrazole-5-carboxamide

1-(2-amino-2-oxoethyl)-3-[3-[2-(2,2,3,3,3-pentafluoropropoxy)phenyl]phenyl]pyrazole-5-carboxamide;3-[3-(1-benzothiophen-7-yl)phenyl]-1H-pyrazole-5-carboxamide;3-[3-[5-fluoro-2-(2,2,3,3,3-pentafluoropropoxy)phenyl]phenyl]-1H-pyrazole-5-carboxamide;3-[3-[5-fluoro-2-(2,2,3,3,3-pentafluoropropoxy)phenyl]phenyl]-1H-pyrazole-5-carboxylic acid;3-[3-(2-phenylphenyl)phenyl]-1H-pyrazole-5-carboxamide;3-(3-pyridin-4-ylphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 158276481) has the molecular formula C114H84F17N19O11S and a molecular weight of 2251.08 g/mol. Its IUPAC name is 1-(2-amino-2-oxoethyl)-3-[3-[2-(2,2,3,3,3-pentafluoropropoxy)phenyl]phenyl]pyrazole-5-carboxamide;3-[3-(1-benzothiophen-7-yl)phenyl]-1H-pyrazole-5-carboxamide;3-[3-[5-fluoro-2-(2,2,3,3,3-pentafluoropropoxy)phenyl]phenyl]-1H-pyrazole-5-carboxamide;3-[3-[5-fluoro-2-(2,2,3,3,3-pentafluoropropoxy)phenyl]phenyl]-1H-pyrazole-5-carboxylic acid;3-[3-(2-phenylphenyl)phenyl]-1H-pyrazole-5-carboxamide;3-(3-pyridin-4-ylphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-(2-amino-2-oxoethyl)-3-[3-[2-(2,2,3,3,3-pentafluoropropoxy)phenyl]phenyl]pyrazole-5-carboxamide;3-[3-(1-benzothiophen-7-yl)phenyl]-1H-pyrazole-5-carboxamide;3-[3-[5-fluoro-2-(2,2,3,3,3-pentafluoropropoxy)phenyl]phenyl]-1H-pyrazole-5-carboxamide;3-[3-[5-fluoro-2-(2,2,3,3,3-pentafluoropropoxy)phenyl]phenyl]-1H-pyrazole-5-carboxylic acid;3-[3-(2-phenylphenyl)phenyl]-1H-pyrazole-5-carboxamide;3-(3-pyridin-4-ylphenyl)-1H-pyrazole-5-carboxamide
PubChem CID158276481
Molecular FormulaC114H84F17N19O11S
Molecular Weight2251.08 g/mol
Exact Mass2249.60
IUPAC Name1-(2-amino-2-oxoethyl)-3-[3-[2-(2,2,3,3,3-pentafluoropropoxy)phenyl]phenyl]pyrazole-5-carboxamide;3-[3-(1-benzothiophen-7-yl)phenyl]-1H-pyrazole-5-carboxamide;3-[3-[5-fluoro-2-(2,2,3,3,3-pentafluoropropoxy)phenyl]phenyl]-1H-pyrazole-5-carboxamide;3-[3-[5-fluoro-2-(2,2,3,3,3-pentafluoropropoxy)phenyl]phenyl]-1H-pyrazole-5-carboxylic acid;3-[3-(2-phenylphenyl)phenyl]-1H-pyrazole-5-carboxamide;3-(3-pyridin-4-ylphenyl)-1H-pyrazole-5-carboxamide
SMILESNC(=O)Cn1nc(-c2cccc(-c3ccccc3OCC(F)(F)C(F)(F)F)c2)cc1C(N)=O.NC(=O)c1cc(-c2cccc(-c3cc(F)ccc3OCC(F)(F)C(F)(F)F)c2)n[nH]1.NC(=O)c1cc(-c2cccc(-c3cccc4ccsc34)c2)n[nH]1.NC(=O)c1cc(-c2cccc(-c3ccccc3-c3ccccc3)c2)n[nH]1.NC(=O)c1cc(-c2cccc(-c3ccncc3)c2)n[nH]1.O=C(O)c1cc(-c2cccc(-c3cc(F)ccc3OCC(F)(F)C(F)(F)F)c2)n[nH]1
InChIInChI=1S/C22H17N3O.C21H17F5N4O3.C19H13F6N3O2.C19H12F6N2O3.C18H13N3OS.C15H12N4O/c23-22(26)21-14-20(24-25-21)17-10-6-9-16(13-17)19-12-5-4-11-18(19)15-7-2-1-3-8-15;22-20(23,21(24,25)26)11-33-17-7-2-1-6-14(17)12-4-3-5-13(8-12)15-9-16(19(28)32)30(29-15)10-18(27)31;20-12-4-5-16(30-9-18(21,22)19(23,24)25)13(7-12)10-2-1-3-11(6-10)14-8-15(17(26)29)28-27-14;20-12-4-5-16(30-9-18(21,22)19(23,24)25)13(7-12)10-2-1-3-11(6-10)14-8-15(17(28)29)27-26-14;19-18(22)16-10-15(20-21-16)13-5-1-4-12(9-13)14-6-2-3-11-7-8-23-17(11)14;16-15(20)14-9-13(18-19-14)12-3-1-2-11(8-12)10-4-6-17-7-5-10/h1-14H,(H2,23,26)(H,24,25);1-9H,10-11H2,(H2,27,31)(H2,28,32);1-8H,9H2,(H2,26,29)(H,27,28);1-8H,9H2,(H,26,27)(H,28,29);1-10H,(H2,19,22)(H,20,21);1-9H,(H2,16,20)(H,18,19)
InChIKeyGJRAAWRFJQSOOZ-UHFFFAOYSA-N
XLogP23.90
TPSA497.64 Ų
H-Bond Donors12
H-Bond Acceptors19
Rotatable Bonds30
Heavy Atoms162
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002251.08
LogP ≤ 523.90
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 1-(2-amino-2-oxoethyl)-3-[3-[2-(2,2,3,3,3-pentafluoropropoxy)phenyl]phenyl]pyrazole-5-carboxamide;3-[3-(1-benzothiophen-7-yl)phenyl]-1H-pyrazole-5-carboxamide;3-[3-[5-fluoro-2-(2,2,3,3,3-pentafluoropropoxy)phenyl]phenyl]-1H-pyrazole-5-carboxamide;3-[3-[5-fluoro-2-(2,2,3,3,3-pentafluoropropoxy)phenyl]phenyl]-1H-pyrazole-5-carboxylic acid;3-[3-(2-phenylphenyl)phenyl]-1H-pyrazole-5-carboxamide;3-(3-pyridin-4-ylphenyl)-1H-pyrazole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-2-oxoethyl)-3-[3-[2-(2,2,3,3,3-pentafluoropropoxy)phenyl]phenyl]pyrazole-5-carboxamide;3-[3-(1-benzothiophen-7-yl)phenyl]-1H-pyrazole-5-carboxamide;3-[3-[5-fluoro-2-(2,2,3,3,3-pentafluoropropoxy)phenyl]phenyl]-1H-pyrazole-5-carboxamide;3-[3-[5-fluoro-2-(2,2,3,3,3-pentafluoropropoxy)phenyl]phenyl]-1H-pyrazole-5-carboxylic acid;3-[3-(2-phenylphenyl)phenyl]-1H-pyrazole-5-carboxamide;3-(3-pyridin-4-ylphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 1-(2-amino-2-oxoethyl)-3-[3-[2-(2,2,3,3,3-pentafluoropropoxy)phenyl]phenyl]pyrazole-5-carboxamide;3-[3-(1-benzothiophen-7-yl)phenyl]-1H-pyrazole-5-carboxamide;3-[3-[5-fluoro-2-(2,2,3,3,3-pentafluoropropoxy)phenyl]phenyl]-1H-pyrazole-5-carboxamide;3-[3-[5-fluoro-2-(2,2,3,3,3-pentafluoropropoxy)phenyl]phenyl]-1H-pyrazole-5-carboxylic acid;3-[3-(2-phenylphenyl)phenyl]-1H-pyrazole-5-carboxamide;3-(3-pyridin-4-ylphenyl)-1H-pyrazole-5-carboxamide (CID 158276481) is 1-(2-amino-2-oxoethyl)-3-[3-[2-(2,2,3,3,3-pentafluoropropoxy)phenyl]phenyl]pyrazole-5-carboxamide;3-[3-(1-benzothiophen-7-yl)phenyl]-1H-pyrazole-5-carboxamide;3-[3-[5-fluoro-2-(2,2,3,3,3-pentafluoropropoxy)phenyl]phenyl]-1H-pyrazole-5-carboxamide;3-[3-[5-fluoro-2-(2,2,3,3,3-pentafluoropropoxy)phenyl]phenyl]-1H-pyrazole-5-carboxylic acid;3-[3-(2-phenylphenyl)phenyl]-1H-pyrazole-5-carboxamide;3-(3-pyridin-4-ylphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 1-(2-amino-2-oxoethyl)-3-[3-[2-(2,2,3,3,3-pentafluoropropoxy)phenyl]phenyl]pyrazole-5-carboxamide;3-[3-(1-benzothiophen-7-yl)phenyl]-1H-pyrazole-5-carboxamide;3-[3-[5-fluoro-2-(2,2,3,3,3-pentafluoropropoxy)phenyl]phenyl]-1H-pyrazole-5-carboxamide;3-[3-[5-fluoro-2-(2,2,3,3,3-pentafluoropropoxy)phenyl]phenyl]-1H-pyrazole-5-carboxylic acid;3-[3-(2-phenylphenyl)phenyl]-1H-pyrazole-5-carboxamide;3-(3-pyridin-4-ylphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 1-(2-amino-2-oxoethyl)-3-[3-[2-(2,2,3,3,3-pentafluoropropoxy)phenyl]phenyl]pyrazole-5-carboxamide;3-[3-(1-benzothiophen-7-yl)phenyl]-1H-pyrazole-5-carboxamide;3-[3-[5-fluoro-2-(2,2,3,3,3-pentafluoropropoxy)phenyl]phenyl]-1H-pyrazole-5-carboxamide;3-[3-[5-fluoro-2-(2,2,3,3,3-pentafluoropropoxy)phenyl]phenyl]-1H-pyrazole-5-carboxylic acid;3-[3-(2-phenylphenyl)phenyl]-1H-pyrazole-5-carboxamide;3-(3-pyridin-4-ylphenyl)-1H-pyrazole-5-carboxamide is NC(=O)Cn1nc(-c2cccc(-c3ccccc3OCC(F)(F)C(F)(F)F)c2)cc1C(N)=O.NC(=O)c1cc(-c2cccc(-c3cc(F)ccc3OCC(F)(F)C(F)(F)F)c2)n[nH]1.NC(=O)c1cc(-c2cccc(-c3cccc4ccsc34)c2)n[nH]1.NC(=O)c1cc(-c2cccc(-c3ccccc3-c3ccccc3)c2)n[nH]1.NC(=O)c1cc(-c2cccc(-c3ccncc3)c2)n[nH]1.O=C(O)c1cc(-c2cccc(-c3cc(F)ccc3OCC(F)(F)C(F)(F)F)c2)n[nH]1.
What is the InChIKey of 1-(2-amino-2-oxoethyl)-3-[3-[2-(2,2,3,3,3-pentafluoropropoxy)phenyl]phenyl]pyrazole-5-carboxamide;3-[3-(1-benzothiophen-7-yl)phenyl]-1H-pyrazole-5-carboxamide;3-[3-[5-fluoro-2-(2,2,3,3,3-pentafluoropropoxy)phenyl]phenyl]-1H-pyrazole-5-carboxamide;3-[3-[5-fluoro-2-(2,2,3,3,3-pentafluoropropoxy)phenyl]phenyl]-1H-pyrazole-5-carboxylic acid;3-[3-(2-phenylphenyl)phenyl]-1H-pyrazole-5-carboxamide;3-(3-pyridin-4-ylphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is GJRAAWRFJQSOOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O.C21H17F5N4O3.C19H13F6N3O2.C19H12F6N2O3.C18H13N3OS.C15H12N4O/c23-22(26)21-14-20(24-25-21)17-10-6-9-16(13-17)19-12-5-4-11-18(19)15-7-2-1-3-8-15;22-20(23,21(24,25)26)11-33-17-7-2-1-6-14(17)12-4-3-5-13(8-12)15-9-16(19(28)32)30(29-15)10-18(27)31;20-12-4-5-16(30-9-18(21,22)19(23,24)25)13(7-12)10-2-1-3-11(6-10)14-8-15(17(26)29)28-27-14;20-12-4-5-16(30-9-18(21,22)19(23,24)25)13(7-12)10-2-1-3-11(6-10)14-8-15(17(28)29)27-26-14;19-18(22)16-10-15(20-21-16)13-5-1-4-12(9-13)14-6-2-3-11-7-8-23-17(11)14;16-15(20)14-9-13(18-19-14)12-3-1-2-11(8-12)10-4-6-17-7-5-10/h1-14H,(H2,23,26)(H,24,25);1-9H,10-11H2,(H2,27,31)(H2,28,32);1-8H,9H2,(H2,26,29)(H,27,28);1-8H,9H2,(H,26,27)(H,28,29);1-10H,(H2,19,22)(H,20,21);1-9H,(H2,16,20)(H,18,19).
What are the key properties of 1-(2-amino-2-oxoethyl)-3-[3-[2-(2,2,3,3,3-pentafluoropropoxy)phenyl]phenyl]pyrazole-5-carboxamide;3-[3-(1-benzothiophen-7-yl)phenyl]-1H-pyrazole-5-carboxamide;3-[3-[5-fluoro-2-(2,2,3,3,3-pentafluoropropoxy)phenyl]phenyl]-1H-pyrazole-5-carboxamide;3-[3-[5-fluoro-2-(2,2,3,3,3-pentafluoropropoxy)phenyl]phenyl]-1H-pyrazole-5-carboxylic acid;3-[3-(2-phenylphenyl)phenyl]-1H-pyrazole-5-carboxamide;3-(3-pyridin-4-ylphenyl)-1H-pyrazole-5-carboxamide?
1-(2-amino-2-oxoethyl)-3-[3-[2-(2,2,3,3,3-pentafluoropropoxy)phenyl]phenyl]pyrazole-5-carboxamide;3-[3-(1-benzothiophen-7-yl)phenyl]-1H-pyrazole-5-carboxamide;3-[3-[5-fluoro-2-(2,2,3,3,3-pentafluoropropoxy)phenyl]phenyl]-1H-pyrazole-5-carboxamide;3-[3-[5-fluoro-2-(2,2,3,3,3-pentafluoropropoxy)phenyl]phenyl]-1H-pyrazole-5-carboxylic acid;3-[3-(2-phenylphenyl)phenyl]-1H-pyrazole-5-carboxamide;3-(3-pyridin-4-ylphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 2251.08 g/mol, XLogP of 23.90, 30 rotatable bonds, 12 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-2-oxoethyl)-3-[3-[2-(2,2,3,3,3-pentafluoropropoxy)phenyl]phenyl]pyrazole-5-carboxamide;3-[3-(1-benzothiophen-7-yl)phenyl]-1H-pyrazole-5-carboxamide;3-[3-[5-fluoro-2-(2,2,3,3,3-pentafluoropropoxy)phenyl]phenyl]-1H-pyrazole-5-carboxamide;3-[3-[5-fluoro-2-(2,2,3,3,3-pentafluoropropoxy)phenyl]phenyl]-1H-pyrazole-5-carboxylic acid;3-[3-(2-phenylphenyl)phenyl]-1H-pyrazole-5-carboxamide;3-(3-pyridin-4-ylphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 158276481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).