5-(4-chlorophenyl)-4-pyridin-4-yl-N-pyrrolidin-3-yl-1H-pyrazol-3-amine;1-[5-(4-ethynylphenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazine;2-[3-(4-fluorophenyl)-5-piperazin-1-yl-4-pyridin-4-ylpyrazol-1-yl]ethanol;N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperidin-4-amine;5-(4-fluorophenyl)-4-pyridin-4-yl-N-pyrrolidin-3-yl-1H-pyrazol-3-amine;methane

C100H117ClF3N25O — CID 159536686

About 5-(4-chlorophenyl)-4-pyridin-4-yl-N-pyrrolidin-3-yl-1H-pyrazol-3-amine;1-[5-(4-ethynylphenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazine;2-[3-(4-fluorophenyl)-5-piperazin-1-yl-4-pyridin-4-ylpyrazol-1-yl]ethanol;N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperidin-4-amine;5-(4-fluorophenyl)-4-pyridin-4-yl-N-pyrrolidin-3-yl-1H-pyrazol-3-amine;methane

5-(4-chlorophenyl)-4-pyridin-4-yl-N-pyrrolidin-3-yl-1H-pyrazol-3-amine;1-[5-(4-ethynylphenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazine;2-[3-(4-fluorophenyl)-5-piperazin-1-yl-4-pyridin-4-ylpyrazol-1-yl]ethanol;N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperidin-4-amine;5-(4-fluorophenyl)-4-pyridin-4-yl-N-pyrrolidin-3-yl-1H-pyrazol-3-amine;methane (PubChem CID 159536686) has the molecular formula C100H117ClF3N25O and a molecular weight of 1777.66 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-4-pyridin-4-yl-N-pyrrolidin-3-yl-1H-pyrazol-3-amine;1-[5-(4-ethynylphenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazine;2-[3-(4-fluorophenyl)-5-piperazin-1-yl-4-pyridin-4-ylpyrazol-1-yl]ethanol;N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperidin-4-amine;5-(4-fluorophenyl)-4-pyridin-4-yl-N-pyrrolidin-3-yl-1H-pyrazol-3-amine;methane.

Molecular Properties

• Compound Name: 5-(4-chlorophenyl)-4-pyridin-4-yl-N-pyrrolidin-3-yl-1H-pyrazol-3-amine;1-[5-(4-ethynylphenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazine;2-[3-(4-fluorophenyl)-5-piperazin-1-yl-4-pyridin-4-ylpyrazol-1-yl]ethanol;N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperidin-4-amine;5-(4-fluorophenyl)-4-pyridin-4-yl-N-pyrrolidin-3-yl-1H-pyrazol-3-amine;methane
• PubChem CID: 159536686
• Molecular Formula: C100H117ClF3N25O
• Molecular Weight: 1777.66 g/mol
• Exact Mass: 1775.95
• IUPAC Name: 5-(4-chlorophenyl)-4-pyridin-4-yl-N-pyrrolidin-3-yl-1H-pyrazol-3-amine;1-[5-(4-ethynylphenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazine;2-[3-(4-fluorophenyl)-5-piperazin-1-yl-4-pyridin-4-ylpyrazol-1-yl]ethanol;N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperidin-4-amine;5-(4-fluorophenyl)-4-pyridin-4-yl-N-pyrrolidin-3-yl-1H-pyrazol-3-amine;methane
• SMILES: C.C.C.C.C.C#Cc1ccc(-c2[nH]nc(N3CCNCC3)c2-c2ccncc2)cc1.Clc1ccc(-c2[nH]nc(NC3CCNC3)c2-c2ccncc2)cc1.Fc1ccc(-c2[nH]nc(NC3CCNC3)c2-c2ccncc2)cc1.Fc1ccc(-c2[nH]nc(NC3CCNCC3)c2-c2ccncc2)cc1.OCCn1nc(-c2ccc(F)cc2)c(-c2ccncc2)c1N1CCNCC1
• InChI: InChI=1S/C20H22FN5O.C20H19N5.C19H20FN5.C18H18ClN5.C18H18FN5.5CH4/c21-17-3-1-16(2-4-17)19-18(15-5-7-22-8-6-15)20(26(24-19)13-14-27)25-11-9-23-10-12-25;1-2-15-3-5-17(6-4-15)19-18(16-7-9-21-10-8-16)20(24-23-19)25-13-11-22-12-14-25;20-15-3-1-14(2-4-15)18-17(13-5-9-21-10-6-13)19(25-24-18)23-16-7-11-22-12-8-16;2*19-14-3-1-13(2-4-14)17-16(12-5-8-20-9-6-12)18(24-23-17)22-15-7-10-21-11-15;;;;;/h1-8,23,27H,9-14H2;1,3-10,22H,11-14H2,(H,23,24);1-6,9-10,16,22H,7-8,11-12H2,(H2,23,24,25);2*1-6,8-9,15,21H,7,10-11H2,(H2,22,23,24);5*1H4
• InChIKey: MDRKTEFKMYAPDH-UHFFFAOYSA-N
• XLogP: 17.92
• TPSA: 319.94 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 22
• Rotatable Bonds: 20
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1777.66
LogP ≤ 5	17.92
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-4-pyridin-4-yl-N-pyrrolidin-3-yl-1H-pyrazol-3-amine;1-[5-(4-ethynylphenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazine;2-[3-(4-fluorophenyl)-5-piperazin-1-yl-4-pyridin-4-ylpyrazol-1-yl]ethanol;N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperidin-4-amine;5-(4-fluorophenyl)-4-pyridin-4-yl-N-pyrrolidin-3-yl-1H-pyrazol-3-amine;methane?

The IUPAC name of 5-(4-chlorophenyl)-4-pyridin-4-yl-N-pyrrolidin-3-yl-1H-pyrazol-3-amine;1-[5-(4-ethynylphenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazine;2-[3-(4-fluorophenyl)-5-piperazin-1-yl-4-pyridin-4-ylpyrazol-1-yl]ethanol;N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperidin-4-amine;5-(4-fluorophenyl)-4-pyridin-4-yl-N-pyrrolidin-3-yl-1H-pyrazol-3-amine;methane (CID 159536686) is 5-(4-chlorophenyl)-4-pyridin-4-yl-N-pyrrolidin-3-yl-1H-pyrazol-3-amine;1-[5-(4-ethynylphenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazine;2-[3-(4-fluorophenyl)-5-piperazin-1-yl-4-pyridin-4-ylpyrazol-1-yl]ethanol;N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperidin-4-amine;5-(4-fluorophenyl)-4-pyridin-4-yl-N-pyrrolidin-3-yl-1H-pyrazol-3-amine;methane.

What is the SMILES notation for 5-(4-chlorophenyl)-4-pyridin-4-yl-N-pyrrolidin-3-yl-1H-pyrazol-3-amine;1-[5-(4-ethynylphenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazine;2-[3-(4-fluorophenyl)-5-piperazin-1-yl-4-pyridin-4-ylpyrazol-1-yl]ethanol;N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperidin-4-amine;5-(4-fluorophenyl)-4-pyridin-4-yl-N-pyrrolidin-3-yl-1H-pyrazol-3-amine;methane?

The canonical SMILES for 5-(4-chlorophenyl)-4-pyridin-4-yl-N-pyrrolidin-3-yl-1H-pyrazol-3-amine;1-[5-(4-ethynylphenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazine;2-[3-(4-fluorophenyl)-5-piperazin-1-yl-4-pyridin-4-ylpyrazol-1-yl]ethanol;N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperidin-4-amine;5-(4-fluorophenyl)-4-pyridin-4-yl-N-pyrrolidin-3-yl-1H-pyrazol-3-amine;methane is C.C.C.C.C.C#Cc1ccc(-c2[nH]nc(N3CCNCC3)c2-c2ccncc2)cc1.Clc1ccc(-c2[nH]nc(NC3CCNC3)c2-c2ccncc2)cc1.Fc1ccc(-c2[nH]nc(NC3CCNC3)c2-c2ccncc2)cc1.Fc1ccc(-c2[nH]nc(NC3CCNCC3)c2-c2ccncc2)cc1.OCCn1nc(-c2ccc(F)cc2)c(-c2ccncc2)c1N1CCNCC1.

What is the InChIKey of 5-(4-chlorophenyl)-4-pyridin-4-yl-N-pyrrolidin-3-yl-1H-pyrazol-3-amine;1-[5-(4-ethynylphenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazine;2-[3-(4-fluorophenyl)-5-piperazin-1-yl-4-pyridin-4-ylpyrazol-1-yl]ethanol;N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperidin-4-amine;5-(4-fluorophenyl)-4-pyridin-4-yl-N-pyrrolidin-3-yl-1H-pyrazol-3-amine;methane?

The InChIKey is MDRKTEFKMYAPDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN5O.C20H19N5.C19H20FN5.C18H18ClN5.C18H18FN5.5CH4/c21-17-3-1-16(2-4-17)19-18(15-5-7-22-8-6-15)20(26(24-19)13-14-27)25-11-9-23-10-12-25;1-2-15-3-5-17(6-4-15)19-18(16-7-9-21-10-8-16)20(24-23-19)25-13-11-22-12-14-25;20-15-3-1-14(2-4-15)18-17(13-5-9-21-10-6-13)19(25-24-18)23-16-7-11-22-12-8-16;2*19-14-3-1-13(2-4-14)17-16(12-5-8-20-9-6-12)18(24-23-17)22-15-7-10-21-11-15;;;;;/h1-8,23,27H,9-14H2;1,3-10,22H,11-14H2,(H,23,24);1-6,9-10,16,22H,7-8,11-12H2,(H2,23,24,25);2*1-6,8-9,15,21H,7,10-11H2,(H2,22,23,24);5*1H4.

What are the key properties of 5-(4-chlorophenyl)-4-pyridin-4-yl-N-pyrrolidin-3-yl-1H-pyrazol-3-amine;1-[5-(4-ethynylphenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazine;2-[3-(4-fluorophenyl)-5-piperazin-1-yl-4-pyridin-4-ylpyrazol-1-yl]ethanol;N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperidin-4-amine;5-(4-fluorophenyl)-4-pyridin-4-yl-N-pyrrolidin-3-yl-1H-pyrazol-3-amine;methane?

5-(4-chlorophenyl)-4-pyridin-4-yl-N-pyrrolidin-3-yl-1H-pyrazol-3-amine;1-[5-(4-ethynylphenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazine;2-[3-(4-fluorophenyl)-5-piperazin-1-yl-4-pyridin-4-ylpyrazol-1-yl]ethanol;N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperidin-4-amine;5-(4-fluorophenyl)-4-pyridin-4-yl-N-pyrrolidin-3-yl-1H-pyrazol-3-amine;methane has a molecular weight of 1777.66 g/mol, XLogP of 17.92, 20 rotatable bonds, 13 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-chlorophenyl)-4-pyridin-4-yl-N-pyrrolidin-3-yl-1H-pyrazol-3-amine;1-[5-(4-ethynylphenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazine;2-[3-(4-fluorophenyl)-5-piperazin-1-yl-4-pyridin-4-ylpyrazol-1-yl]ethanol;N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperidin-4-amine;5-(4-fluorophenyl)-4-pyridin-4-yl-N-pyrrolidin-3-yl-1H-pyrazol-3-amine;methane is sourced from PubChem (CID 159536686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).