1-[5-(4-bromophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazine;4-[5-(4-chlorophenyl)-3-piperazin-1-yl-1H-pyrazol-4-yl]pyrimidine;1-[5-(4-ethynylphenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazine;1-[5-(4-isocyanophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazine;1-[4-pyridin-4-yl-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]piperazine

C93H90BrClF3N27 — CID 158481320

About 1-[5-(4-bromophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazine;4-[5-(4-chlorophenyl)-3-piperazin-1-yl-1H-pyrazol-4-yl]pyrimidine;1-[5-(4-ethynylphenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazine;1-[5-(4-isocyanophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazine;1-[4-pyridin-4-yl-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]piperazine

1-[5-(4-bromophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazine;4-[5-(4-chlorophenyl)-3-piperazin-1-yl-1H-pyrazol-4-yl]pyrimidine;1-[5-(4-ethynylphenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazine;1-[5-(4-isocyanophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazine;1-[4-pyridin-4-yl-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]piperazine (PubChem CID 158481320) has the molecular formula C93H90BrClF3N27 and a molecular weight of 1758.28 g/mol. Its IUPAC name is 1-[5-(4-bromophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazine;4-[5-(4-chlorophenyl)-3-piperazin-1-yl-1H-pyrazol-4-yl]pyrimidine;1-[5-(4-ethynylphenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazine;1-[5-(4-isocyanophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazine;1-[4-pyridin-4-yl-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]piperazine.

Molecular Properties

• Compound Name: 1-[5-(4-bromophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazine;4-[5-(4-chlorophenyl)-3-piperazin-1-yl-1H-pyrazol-4-yl]pyrimidine;1-[5-(4-ethynylphenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazine;1-[5-(4-isocyanophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazine;1-[4-pyridin-4-yl-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]piperazine
• PubChem CID: 158481320
• Molecular Formula: C93H90BrClF3N27
• Molecular Weight: 1758.28 g/mol
• Exact Mass: 1755.67
• IUPAC Name: 1-[5-(4-bromophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazine;4-[5-(4-chlorophenyl)-3-piperazin-1-yl-1H-pyrazol-4-yl]pyrimidine;1-[5-(4-ethynylphenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazine;1-[5-(4-isocyanophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazine;1-[4-pyridin-4-yl-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]piperazine
• SMILES: Brc1ccc(-c2[nH]nc(N3CCNCC3)c2-c2ccncc2)cc1.C#Cc1ccc(-c2[nH]nc(N3CCNCC3)c2-c2ccncc2)cc1.Clc1ccc(-c2[nH]nc(N3CCNCC3)c2-c2ccncn2)cc1.FC(F)(F)c1ccc(-c2[nH]nc(N3CCNCC3)c2-c2ccncc2)cc1.[C-]#[N+]c1ccc(-c2[nH]nc(N3CCNCC3)c2-c2ccncc2)cc1
• InChI: InChI=1S/C20H19N5.C19H18F3N5.C19H18N6.C18H18BrN5.C17H17ClN6/c1-2-15-3-5-17(6-4-15)19-18(16-7-9-21-10-8-16)20(24-23-19)25-13-11-22-12-14-25;20-19(21,22)15-3-1-14(2-4-15)17-16(13-5-7-23-8-6-13)18(26-25-17)27-11-9-24-10-12-27;1-20-16-4-2-15(3-5-16)18-17(14-6-8-21-9-7-14)19(24-23-18)25-12-10-22-11-13-25;19-15-3-1-14(2-4-15)17-16(13-5-7-20-8-6-13)18(23-22-17)24-11-9-21-10-12-24;18-13-3-1-12(2-4-13)16-15(14-5-6-20-11-21-14)17(23-22-16)24-9-7-19-8-10-24/h1,3-10,22H,11-14H2,(H,23,24);1-8,24H,9-12H2,(H,25,26);2-9,22H,10-13H2,(H,23,24);1-8,21H,9-12H2,(H,22,23);1-6,11,19H,7-10H2,(H,22,23)
• InChIKey: HHNZJXLUOJPKNI-UHFFFAOYSA-N
• XLogP: 15.10
• TPSA: 301.45 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 21
• Rotatable Bonds: 15
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1758.28
LogP ≤ 5	15.10
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-bromophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazine;4-[5-(4-chlorophenyl)-3-piperazin-1-yl-1H-pyrazol-4-yl]pyrimidine;1-[5-(4-ethynylphenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazine;1-[5-(4-isocyanophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazine;1-[4-pyridin-4-yl-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]piperazine?

The IUPAC name of 1-[5-(4-bromophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazine;4-[5-(4-chlorophenyl)-3-piperazin-1-yl-1H-pyrazol-4-yl]pyrimidine;1-[5-(4-ethynylphenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazine;1-[5-(4-isocyanophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazine;1-[4-pyridin-4-yl-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]piperazine (CID 158481320) is 1-[5-(4-bromophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazine;4-[5-(4-chlorophenyl)-3-piperazin-1-yl-1H-pyrazol-4-yl]pyrimidine;1-[5-(4-ethynylphenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazine;1-[5-(4-isocyanophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazine;1-[4-pyridin-4-yl-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]piperazine.

What is the SMILES notation for 1-[5-(4-bromophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazine;4-[5-(4-chlorophenyl)-3-piperazin-1-yl-1H-pyrazol-4-yl]pyrimidine;1-[5-(4-ethynylphenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazine;1-[5-(4-isocyanophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazine;1-[4-pyridin-4-yl-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]piperazine?

The canonical SMILES for 1-[5-(4-bromophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazine;4-[5-(4-chlorophenyl)-3-piperazin-1-yl-1H-pyrazol-4-yl]pyrimidine;1-[5-(4-ethynylphenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazine;1-[5-(4-isocyanophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazine;1-[4-pyridin-4-yl-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]piperazine is Brc1ccc(-c2[nH]nc(N3CCNCC3)c2-c2ccncc2)cc1.C#Cc1ccc(-c2[nH]nc(N3CCNCC3)c2-c2ccncc2)cc1.Clc1ccc(-c2[nH]nc(N3CCNCC3)c2-c2ccncn2)cc1.FC(F)(F)c1ccc(-c2[nH]nc(N3CCNCC3)c2-c2ccncc2)cc1.[C-]#[N+]c1ccc(-c2[nH]nc(N3CCNCC3)c2-c2ccncc2)cc1.

What is the InChIKey of 1-[5-(4-bromophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazine;4-[5-(4-chlorophenyl)-3-piperazin-1-yl-1H-pyrazol-4-yl]pyrimidine;1-[5-(4-ethynylphenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazine;1-[5-(4-isocyanophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazine;1-[4-pyridin-4-yl-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]piperazine?

The InChIKey is HHNZJXLUOJPKNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5.C19H18F3N5.C19H18N6.C18H18BrN5.C17H17ClN6/c1-2-15-3-5-17(6-4-15)19-18(16-7-9-21-10-8-16)20(24-23-19)25-13-11-22-12-14-25;20-19(21,22)15-3-1-14(2-4-15)17-16(13-5-7-23-8-6-13)18(26-25-17)27-11-9-24-10-12-27;1-20-16-4-2-15(3-5-16)18-17(14-6-8-21-9-7-14)19(24-23-18)25-12-10-22-11-13-25;19-15-3-1-14(2-4-15)17-16(13-5-7-20-8-6-13)18(23-22-17)24-11-9-21-10-12-24;18-13-3-1-12(2-4-13)16-15(14-5-6-20-11-21-14)17(23-22-16)24-9-7-19-8-10-24/h1,3-10,22H,11-14H2,(H,23,24);1-8,24H,9-12H2,(H,25,26);2-9,22H,10-13H2,(H,23,24);1-8,21H,9-12H2,(H,22,23);1-6,11,19H,7-10H2,(H,22,23).

What are the key properties of 1-[5-(4-bromophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazine;4-[5-(4-chlorophenyl)-3-piperazin-1-yl-1H-pyrazol-4-yl]pyrimidine;1-[5-(4-ethynylphenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazine;1-[5-(4-isocyanophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazine;1-[4-pyridin-4-yl-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]piperazine?

1-[5-(4-bromophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazine;4-[5-(4-chlorophenyl)-3-piperazin-1-yl-1H-pyrazol-4-yl]pyrimidine;1-[5-(4-ethynylphenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazine;1-[5-(4-isocyanophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazine;1-[4-pyridin-4-yl-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]piperazine has a molecular weight of 1758.28 g/mol, XLogP of 15.10, 15 rotatable bonds, 10 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-(4-bromophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazine;4-[5-(4-chlorophenyl)-3-piperazin-1-yl-1H-pyrazol-4-yl]pyrimidine;1-[5-(4-ethynylphenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazine;1-[5-(4-isocyanophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazine;1-[4-pyridin-4-yl-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]piperazine is sourced from PubChem (CID 158481320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).