4-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1,2-dimethylpiperazine;5-(4-chlorophenyl)-4-pyridin-4-yl-N-pyrrolidin-3-yl-1H-pyrazol-3-amine;4-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1,2-dimethylpiperazine;1-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-3-methylpiperazine;methane

C81H98Cl2F2N20 — CID 159116412

About 4-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1,2-dimethylpiperazine;5-(4-chlorophenyl)-4-pyridin-4-yl-N-pyrrolidin-3-yl-1H-pyrazol-3-amine;4-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1,2-dimethylpiperazine;1-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-3-methylpiperazine;methane

4-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1,2-dimethylpiperazine;5-(4-chlorophenyl)-4-pyridin-4-yl-N-pyrrolidin-3-yl-1H-pyrazol-3-amine;4-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1,2-dimethylpiperazine;1-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-3-methylpiperazine;methane (PubChem CID 159116412) has the molecular formula C81H98Cl2F2N20 and a molecular weight of 1460.72 g/mol. Its IUPAC name is 4-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1,2-dimethylpiperazine;5-(4-chlorophenyl)-4-pyridin-4-yl-N-pyrrolidin-3-yl-1H-pyrazol-3-amine;4-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1,2-dimethylpiperazine;1-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-3-methylpiperazine;methane.

Molecular Properties

• Compound Name: 4-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1,2-dimethylpiperazine;5-(4-chlorophenyl)-4-pyridin-4-yl-N-pyrrolidin-3-yl-1H-pyrazol-3-amine;4-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1,2-dimethylpiperazine;1-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-3-methylpiperazine;methane
• PubChem CID: 159116412
• Molecular Formula: C81H98Cl2F2N20
• Molecular Weight: 1460.72 g/mol
• Exact Mass: 1458.76
• IUPAC Name: 4-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1,2-dimethylpiperazine;5-(4-chlorophenyl)-4-pyridin-4-yl-N-pyrrolidin-3-yl-1H-pyrazol-3-amine;4-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1,2-dimethylpiperazine;1-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-3-methylpiperazine;methane
• SMILES: C.C.C.C.CC1CN(c2n[nH]c(-c3ccc(Cl)cc3)c2-c2ccncc2)CCN1C.CC1CN(c2n[nH]c(-c3ccc(F)cc3)c2-c2ccncc2)CCN1.CC1CN(c2n[nH]c(-c3ccc(F)cc3)c2-c2ccncc2)CCN1C.Clc1ccc(-c2[nH]nc(NC3CCNC3)c2-c2ccncc2)cc1
• InChI: InChI=1S/C20H22ClN5.C20H22FN5.C19H20FN5.C18H18ClN5.4CH4/c2*1-14-13-26(12-11-25(14)2)20-18(15-7-9-22-10-8-15)19(23-24-20)16-3-5-17(21)6-4-16;1-13-12-25(11-10-22-13)19-17(14-6-8-21-9-7-14)18(23-24-19)15-2-4-16(20)5-3-15;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;;;;/h2*3-10,14H,11-13H2,1-2H3,(H,23,24);2-9,13,22H,10-12H2,1H3,(H,23,24);1-6,8-9,15,21H,7,10-11H2,(H2,22,23,24);4*1H4
• InChIKey: KFDLKIOEDRQNPS-UHFFFAOYSA-N
• XLogP: 16.54
• TPSA: 218.57 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 16
• Rotatable Bonds: 13
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1460.72
LogP ≤ 5	16.54
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1,2-dimethylpiperazine;5-(4-chlorophenyl)-4-pyridin-4-yl-N-pyrrolidin-3-yl-1H-pyrazol-3-amine;4-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1,2-dimethylpiperazine;1-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-3-methylpiperazine;methane?

The IUPAC name of 4-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1,2-dimethylpiperazine;5-(4-chlorophenyl)-4-pyridin-4-yl-N-pyrrolidin-3-yl-1H-pyrazol-3-amine;4-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1,2-dimethylpiperazine;1-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-3-methylpiperazine;methane (CID 159116412) is 4-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1,2-dimethylpiperazine;5-(4-chlorophenyl)-4-pyridin-4-yl-N-pyrrolidin-3-yl-1H-pyrazol-3-amine;4-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1,2-dimethylpiperazine;1-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-3-methylpiperazine;methane.

What is the SMILES notation for 4-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1,2-dimethylpiperazine;5-(4-chlorophenyl)-4-pyridin-4-yl-N-pyrrolidin-3-yl-1H-pyrazol-3-amine;4-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1,2-dimethylpiperazine;1-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-3-methylpiperazine;methane?

The canonical SMILES for 4-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1,2-dimethylpiperazine;5-(4-chlorophenyl)-4-pyridin-4-yl-N-pyrrolidin-3-yl-1H-pyrazol-3-amine;4-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1,2-dimethylpiperazine;1-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-3-methylpiperazine;methane is C.C.C.C.CC1CN(c2n[nH]c(-c3ccc(Cl)cc3)c2-c2ccncc2)CCN1C.CC1CN(c2n[nH]c(-c3ccc(F)cc3)c2-c2ccncc2)CCN1.CC1CN(c2n[nH]c(-c3ccc(F)cc3)c2-c2ccncc2)CCN1C.Clc1ccc(-c2[nH]nc(NC3CCNC3)c2-c2ccncc2)cc1.

What is the InChIKey of 4-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1,2-dimethylpiperazine;5-(4-chlorophenyl)-4-pyridin-4-yl-N-pyrrolidin-3-yl-1H-pyrazol-3-amine;4-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1,2-dimethylpiperazine;1-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-3-methylpiperazine;methane?

The InChIKey is KFDLKIOEDRQNPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN5.C20H22FN5.C19H20FN5.C18H18ClN5.4CH4/c2*1-14-13-26(12-11-25(14)2)20-18(15-7-9-22-10-8-15)19(23-24-20)16-3-5-17(21)6-4-16;1-13-12-25(11-10-22-13)19-17(14-6-8-21-9-7-14)18(23-24-19)15-2-4-16(20)5-3-15;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;;;;/h2*3-10,14H,11-13H2,1-2H3,(H,23,24);2-9,13,22H,10-12H2,1H3,(H,23,24);1-6,8-9,15,21H,7,10-11H2,(H2,22,23,24);4*1H4.

What are the key properties of 4-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1,2-dimethylpiperazine;5-(4-chlorophenyl)-4-pyridin-4-yl-N-pyrrolidin-3-yl-1H-pyrazol-3-amine;4-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1,2-dimethylpiperazine;1-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-3-methylpiperazine;methane?

4-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1,2-dimethylpiperazine;5-(4-chlorophenyl)-4-pyridin-4-yl-N-pyrrolidin-3-yl-1H-pyrazol-3-amine;4-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1,2-dimethylpiperazine;1-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-3-methylpiperazine;methane has a molecular weight of 1460.72 g/mol, XLogP of 16.54, 13 rotatable bonds, 7 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1,2-dimethylpiperazine;5-(4-chlorophenyl)-4-pyridin-4-yl-N-pyrrolidin-3-yl-1H-pyrazol-3-amine;4-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1,2-dimethylpiperazine;1-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-3-methylpiperazine;methane is sourced from PubChem (CID 159116412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).