1-(2-ethoxyethyl)-5-[3-[1-(2-ethoxyethyl)-3-phenylpyrazol-5-yl]phenyl]-3-[4-[4-[1-(2-methoxyethyl)-5-[3-[1-(2-methoxyethyl)-3-phenylpyrazol-5-yl]phenyl]pyrazol-3-yl]phenyl]phenyl]pyrazole

C62H62N8O4 — CID 148850066

IUPAC1-(2-ethoxyethyl)-5-[3-[1-(2-ethoxyethyl)-3-phenylpyrazol-5-yl]phenyl]-3-[4-[4-[1-(2-methoxyethyl)-5-[3-[1-(2-methoxyethyl)-3-phenylpyrazol-5-yl]phenyl]pyrazol-3-yl]phenyl]phenyl]pyrazole
SMILESCCOCCn1nc(-c2ccccc2)cc1-c1cccc(-c2cc(-c3ccc(-c4ccc(-c5cc(-c6cccc(-c7cc(-c8ccccc8)nn7CCOC)c6)n(CCOC)n5)cc4)cc3)nn2CCOCC)c1
InChIInChI=1S/C62H62N8O4/c1-5-73-37-33-69-61(42-56(64-69)48-17-11-8-12-18-48)53-21-14-22-54(40-53)62-44-58(66-70(62)34-38-74-6-2)50-29-25-46(26-30-50)45-23-27-49(28-24-45)57-43-60(68(65-57)32-36-72-4)52-20-13-19-51(39-52)59-41-55(47-15-9-7-10-16-47)63-67(59)31-35-71-3/h7-30,39-44H,5-6,31-38H2,1-4H3
InChIKeyOXGNEDLJSKNHJS-UHFFFAOYSA-N
MW983.23 g/mol
LogP12.84
Rot. Bonds23

About 1-(2-ethoxyethyl)-5-[3-[1-(2-ethoxyethyl)-3-phenylpyrazol-5-yl]phenyl]-3-[4-[4-[1-(2-methoxyethyl)-5-[3-[1-(2-methoxyethyl)-3-phenylpyrazol-5-yl]phenyl]pyrazol-3-yl]phenyl]phenyl]pyrazole

1-(2-ethoxyethyl)-5-[3-[1-(2-ethoxyethyl)-3-phenylpyrazol-5-yl]phenyl]-3-[4-[4-[1-(2-methoxyethyl)-5-[3-[1-(2-methoxyethyl)-3-phenylpyrazol-5-yl]phenyl]pyrazol-3-yl]phenyl]phenyl]pyrazole (PubChem CID 148850066) has the molecular formula C62H62N8O4 and a molecular weight of 983.23 g/mol. Its IUPAC name is 1-(2-ethoxyethyl)-5-[3-[1-(2-ethoxyethyl)-3-phenylpyrazol-5-yl]phenyl]-3-[4-[4-[1-(2-methoxyethyl)-5-[3-[1-(2-methoxyethyl)-3-phenylpyrazol-5-yl]phenyl]pyrazol-3-yl]phenyl]phenyl]pyrazole.

Molecular Properties

Compound Name1-(2-ethoxyethyl)-5-[3-[1-(2-ethoxyethyl)-3-phenylpyrazol-5-yl]phenyl]-3-[4-[4-[1-(2-methoxyethyl)-5-[3-[1-(2-methoxyethyl)-3-phenylpyrazol-5-yl]phenyl]pyrazol-3-yl]phenyl]phenyl]pyrazole
PubChem CID148850066
Molecular FormulaC62H62N8O4
Molecular Weight983.23 g/mol
Exact Mass982.49
IUPAC Name1-(2-ethoxyethyl)-5-[3-[1-(2-ethoxyethyl)-3-phenylpyrazol-5-yl]phenyl]-3-[4-[4-[1-(2-methoxyethyl)-5-[3-[1-(2-methoxyethyl)-3-phenylpyrazol-5-yl]phenyl]pyrazol-3-yl]phenyl]phenyl]pyrazole
SMILESCCOCCn1nc(-c2ccccc2)cc1-c1cccc(-c2cc(-c3ccc(-c4ccc(-c5cc(-c6cccc(-c7cc(-c8ccccc8)nn7CCOC)c6)n(CCOC)n5)cc4)cc3)nn2CCOCC)c1
InChIInChI=1S/C62H62N8O4/c1-5-73-37-33-69-61(42-56(64-69)48-17-11-8-12-18-48)53-21-14-22-54(40-53)62-44-58(66-70(62)34-38-74-6-2)50-29-25-46(26-30-50)45-23-27-49(28-24-45)57-43-60(68(65-57)32-36-72-4)52-20-13-19-51(39-52)59-41-55(47-15-9-7-10-16-47)63-67(59)31-35-71-3/h7-30,39-44H,5-6,31-38H2,1-4H3
InChIKeyOXGNEDLJSKNHJS-UHFFFAOYSA-N
XLogP12.84
TPSA108.20 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds23
Heavy Atoms74
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500983.23
LogP ≤ 512.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 1-(2-ethoxyethyl)-5-[3-[1-(2-ethoxyethyl)-3-phenylpyrazol-5-yl]phenyl]-3-[4-[4-[1-(2-methoxyethyl)-5-[3-[1-(2-methoxyethyl)-3-phenylpyrazol-5-yl]phenyl]pyrazol-3-yl]phenyl]phenyl]pyrazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethyl)-5-[3-[1-(2-ethoxyethyl)-3-phenylpyrazol-5-yl]phenyl]-3-[4-[4-[1-(2-methoxyethyl)-5-[3-[1-(2-methoxyethyl)-3-phenylpyrazol-5-yl]phenyl]pyrazol-3-yl]phenyl]phenyl]pyrazole?
The IUPAC name of 1-(2-ethoxyethyl)-5-[3-[1-(2-ethoxyethyl)-3-phenylpyrazol-5-yl]phenyl]-3-[4-[4-[1-(2-methoxyethyl)-5-[3-[1-(2-methoxyethyl)-3-phenylpyrazol-5-yl]phenyl]pyrazol-3-yl]phenyl]phenyl]pyrazole (CID 148850066) is 1-(2-ethoxyethyl)-5-[3-[1-(2-ethoxyethyl)-3-phenylpyrazol-5-yl]phenyl]-3-[4-[4-[1-(2-methoxyethyl)-5-[3-[1-(2-methoxyethyl)-3-phenylpyrazol-5-yl]phenyl]pyrazol-3-yl]phenyl]phenyl]pyrazole.
What is the SMILES notation for 1-(2-ethoxyethyl)-5-[3-[1-(2-ethoxyethyl)-3-phenylpyrazol-5-yl]phenyl]-3-[4-[4-[1-(2-methoxyethyl)-5-[3-[1-(2-methoxyethyl)-3-phenylpyrazol-5-yl]phenyl]pyrazol-3-yl]phenyl]phenyl]pyrazole?
The canonical SMILES for 1-(2-ethoxyethyl)-5-[3-[1-(2-ethoxyethyl)-3-phenylpyrazol-5-yl]phenyl]-3-[4-[4-[1-(2-methoxyethyl)-5-[3-[1-(2-methoxyethyl)-3-phenylpyrazol-5-yl]phenyl]pyrazol-3-yl]phenyl]phenyl]pyrazole is CCOCCn1nc(-c2ccccc2)cc1-c1cccc(-c2cc(-c3ccc(-c4ccc(-c5cc(-c6cccc(-c7cc(-c8ccccc8)nn7CCOC)c6)n(CCOC)n5)cc4)cc3)nn2CCOCC)c1.
What is the InChIKey of 1-(2-ethoxyethyl)-5-[3-[1-(2-ethoxyethyl)-3-phenylpyrazol-5-yl]phenyl]-3-[4-[4-[1-(2-methoxyethyl)-5-[3-[1-(2-methoxyethyl)-3-phenylpyrazol-5-yl]phenyl]pyrazol-3-yl]phenyl]phenyl]pyrazole?
The InChIKey is OXGNEDLJSKNHJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H62N8O4/c1-5-73-37-33-69-61(42-56(64-69)48-17-11-8-12-18-48)53-21-14-22-54(40-53)62-44-58(66-70(62)34-38-74-6-2)50-29-25-46(26-30-50)45-23-27-49(28-24-45)57-43-60(68(65-57)32-36-72-4)52-20-13-19-51(39-52)59-41-55(47-15-9-7-10-16-47)63-67(59)31-35-71-3/h7-30,39-44H,5-6,31-38H2,1-4H3.
What are the key properties of 1-(2-ethoxyethyl)-5-[3-[1-(2-ethoxyethyl)-3-phenylpyrazol-5-yl]phenyl]-3-[4-[4-[1-(2-methoxyethyl)-5-[3-[1-(2-methoxyethyl)-3-phenylpyrazol-5-yl]phenyl]pyrazol-3-yl]phenyl]phenyl]pyrazole?
1-(2-ethoxyethyl)-5-[3-[1-(2-ethoxyethyl)-3-phenylpyrazol-5-yl]phenyl]-3-[4-[4-[1-(2-methoxyethyl)-5-[3-[1-(2-methoxyethyl)-3-phenylpyrazol-5-yl]phenyl]pyrazol-3-yl]phenyl]phenyl]pyrazole has a molecular weight of 983.23 g/mol, XLogP of 12.84, 23 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethyl)-5-[3-[1-(2-ethoxyethyl)-3-phenylpyrazol-5-yl]phenyl]-3-[4-[4-[1-(2-methoxyethyl)-5-[3-[1-(2-methoxyethyl)-3-phenylpyrazol-5-yl]phenyl]pyrazol-3-yl]phenyl]phenyl]pyrazole is sourced from PubChem (CID 148850066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).