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;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

C75H75ClF2N20 — CID 157365716

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;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

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;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 (PubChem CID 157365716) has the molecular formula C75H75ClF2N20 and a molecular weight of 1330.01 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;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.

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;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
• PubChem CID: 157365716
• Molecular Formula: C75H75ClF2N20
• Molecular Weight: 1330.01 g/mol
• Exact Mass: 1328.61
• 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;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
• SMILES: 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
• InChI: InChI=1S/C20H19N5.C19H20FN5.C18H18ClN5.C18H18FN5/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;20-15-3-1-14(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/h1,3-10,22H,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)
• InChIKey: BJDPRJIKVRTCFY-UHFFFAOYSA-N
• XLogP: 12.59
• TPSA: 253.73 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 16
• Rotatable Bonds: 15
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1330.01
LogP ≤ 5	12.59
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	16

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;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?

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;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 (CID 157365716) 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;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.

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;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?

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;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 is 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.

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;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?

The InChIKey is BJDPRJIKVRTCFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5.C19H20FN5.C18H18ClN5.C18H18FN5/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;20-15-3-1-14(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/h1,3-10,22H,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).

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;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?

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;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 has a molecular weight of 1330.01 g/mol, XLogP of 12.59, 15 rotatable bonds, 11 hydrogen bond donors, and 16 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;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 is sourced from PubChem (CID 157365716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).