3-[3,5-bis[5-[3-[5-(3-methylphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazol-3-yl]phenyl]-5-[3-[5-(3-methylphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazole

C63H48N12 — CID 171764189

IUPAC3-[3,5-bis[5-[3-[5-(3-methylphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazol-3-yl]phenyl]-5-[3-[5-(3-methylphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazole
SMILESCc1cccc(-c2cc(-c3cccc(-c4cc(-c5cc(-c6cc(-c7cccc(-c8cc(-c9cccc(C)c9)[nH]n8)c7)[nH]n6)cc(-c6cc(-c7cccc(-c8cc(-c9cccc(C)c9)[nH]n8)c7)[nH]n6)c5)n[nH]4)c3)n[nH]2)c1
InChIInChI=1S/C63H48N12/c1-37-10-4-13-40(22-37)52-31-55(67-64-52)43-16-7-19-46(25-43)58-34-61(73-70-58)49-28-50(62-35-59(71-74-62)47-20-8-17-44(26-47)56-32-53(65-68-56)41-14-5-11-38(2)23-41)30-51(29-49)63-36-60(72-75-63)48-21-9-18-45(27-48)57-33-54(66-69-57)42-15-6-12-39(3)24-42/h4-36H,1-3H3,(H,64,67)(H,65,68)(H,66,69)(H,70,73)(H,71,74)(H,72,75)
InChIKeyRBSNZORCZQQHNP-UHFFFAOYSA-N
MW973.16 g/mol
LogP14.95
Rot. Bonds12

About 3-[3,5-bis[5-[3-[5-(3-methylphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazol-3-yl]phenyl]-5-[3-[5-(3-methylphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazole

3-[3,5-bis[5-[3-[5-(3-methylphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazol-3-yl]phenyl]-5-[3-[5-(3-methylphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazole (PubChem CID 171764189) has the molecular formula C63H48N12 and a molecular weight of 973.16 g/mol. Its IUPAC name is 3-[3,5-bis[5-[3-[5-(3-methylphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazol-3-yl]phenyl]-5-[3-[5-(3-methylphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazole.

Molecular Properties

Compound Name3-[3,5-bis[5-[3-[5-(3-methylphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazol-3-yl]phenyl]-5-[3-[5-(3-methylphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazole
PubChem CID171764189
Molecular FormulaC63H48N12
Molecular Weight973.16 g/mol
Exact Mass972.41
IUPAC Name3-[3,5-bis[5-[3-[5-(3-methylphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazol-3-yl]phenyl]-5-[3-[5-(3-methylphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazole
SMILESCc1cccc(-c2cc(-c3cccc(-c4cc(-c5cc(-c6cc(-c7cccc(-c8cc(-c9cccc(C)c9)[nH]n8)c7)[nH]n6)cc(-c6cc(-c7cccc(-c8cc(-c9cccc(C)c9)[nH]n8)c7)[nH]n6)c5)n[nH]4)c3)n[nH]2)c1
InChIInChI=1S/C63H48N12/c1-37-10-4-13-40(22-37)52-31-55(67-64-52)43-16-7-19-46(25-43)58-34-61(73-70-58)49-28-50(62-35-59(71-74-62)47-20-8-17-44(26-47)56-32-53(65-68-56)41-14-5-11-38(2)23-41)30-51(29-49)63-36-60(72-75-63)48-21-9-18-45(27-48)57-33-54(66-69-57)42-15-6-12-39(3)24-42/h4-36H,1-3H3,(H,64,67)(H,65,68)(H,66,69)(H,70,73)(H,71,74)(H,72,75)
InChIKeyRBSNZORCZQQHNP-UHFFFAOYSA-N
XLogP14.95
TPSA172.08 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms75
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500973.16
LogP ≤ 514.95
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Analyze 3-[3,5-bis[5-[3-[5-(3-methylphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazol-3-yl]phenyl]-5-[3-[5-(3-methylphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[3,5-bis[5-[3-[5-(3-methylphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazol-3-yl]phenyl]-5-[3-[5-(3-methylphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazole?
The IUPAC name of 3-[3,5-bis[5-[3-[5-(3-methylphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazol-3-yl]phenyl]-5-[3-[5-(3-methylphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazole (CID 171764189) is 3-[3,5-bis[5-[3-[5-(3-methylphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazol-3-yl]phenyl]-5-[3-[5-(3-methylphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazole.
What is the SMILES notation for 3-[3,5-bis[5-[3-[5-(3-methylphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazol-3-yl]phenyl]-5-[3-[5-(3-methylphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazole?
The canonical SMILES for 3-[3,5-bis[5-[3-[5-(3-methylphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazol-3-yl]phenyl]-5-[3-[5-(3-methylphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazole is Cc1cccc(-c2cc(-c3cccc(-c4cc(-c5cc(-c6cc(-c7cccc(-c8cc(-c9cccc(C)c9)[nH]n8)c7)[nH]n6)cc(-c6cc(-c7cccc(-c8cc(-c9cccc(C)c9)[nH]n8)c7)[nH]n6)c5)n[nH]4)c3)n[nH]2)c1.
What is the InChIKey of 3-[3,5-bis[5-[3-[5-(3-methylphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazol-3-yl]phenyl]-5-[3-[5-(3-methylphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazole?
The InChIKey is RBSNZORCZQQHNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H48N12/c1-37-10-4-13-40(22-37)52-31-55(67-64-52)43-16-7-19-46(25-43)58-34-61(73-70-58)49-28-50(62-35-59(71-74-62)47-20-8-17-44(26-47)56-32-53(65-68-56)41-14-5-11-38(2)23-41)30-51(29-49)63-36-60(72-75-63)48-21-9-18-45(27-48)57-33-54(66-69-57)42-15-6-12-39(3)24-42/h4-36H,1-3H3,(H,64,67)(H,65,68)(H,66,69)(H,70,73)(H,71,74)(H,72,75).
What are the key properties of 3-[3,5-bis[5-[3-[5-(3-methylphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazol-3-yl]phenyl]-5-[3-[5-(3-methylphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazole?
3-[3,5-bis[5-[3-[5-(3-methylphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazol-3-yl]phenyl]-5-[3-[5-(3-methylphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazole has a molecular weight of 973.16 g/mol, XLogP of 14.95, 12 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,5-bis[5-[3-[5-(3-methylphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazol-3-yl]phenyl]-5-[3-[5-(3-methylphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazole is sourced from PubChem (CID 171764189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).