5-(4-butoxyphenyl)-3-[3-[5-(4-butoxyphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazole

C32H34N4O2 — CID 118529574

IUPAC5-(4-butoxyphenyl)-3-[3-[5-(4-butoxyphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazole
SMILESCCCCOc1ccc(-c2cc(-c3cccc(-c4cc(-c5ccc(OCCCC)cc5)[nH]n4)c3)n[nH]2)cc1
InChIInChI=1S/C32H34N4O2/c1-3-5-18-37-27-14-10-23(11-15-27)29-21-31(35-33-29)25-8-7-9-26(20-25)32-22-30(34-36-32)24-12-16-28(17-13-24)38-19-6-4-2/h7-17,20-22H,3-6,18-19H2,1-2H3,(H,33,35)(H,34,36)
InChIKeyPGFIJOLXEIBUOK-UHFFFAOYSA-N
MW506.65 g/mol
LogP8.16
Rot. Bonds12

About 5-(4-butoxyphenyl)-3-[3-[5-(4-butoxyphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazole

5-(4-butoxyphenyl)-3-[3-[5-(4-butoxyphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazole (PubChem CID 118529574) has the molecular formula C32H34N4O2 and a molecular weight of 506.65 g/mol. Its IUPAC name is 5-(4-butoxyphenyl)-3-[3-[5-(4-butoxyphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazole.

Molecular Properties

Compound Name5-(4-butoxyphenyl)-3-[3-[5-(4-butoxyphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazole
PubChem CID118529574
Molecular FormulaC32H34N4O2
Molecular Weight506.65 g/mol
Exact Mass506.27
IUPAC Name5-(4-butoxyphenyl)-3-[3-[5-(4-butoxyphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazole
SMILESCCCCOc1ccc(-c2cc(-c3cccc(-c4cc(-c5ccc(OCCCC)cc5)[nH]n4)c3)n[nH]2)cc1
InChIInChI=1S/C32H34N4O2/c1-3-5-18-37-27-14-10-23(11-15-27)29-21-31(35-33-29)25-8-7-9-26(20-25)32-22-30(34-36-32)24-12-16-28(17-13-24)38-19-6-4-2/h7-17,20-22H,3-6,18-19H2,1-2H3,(H,33,35)(H,34,36)
InChIKeyPGFIJOLXEIBUOK-UHFFFAOYSA-N
XLogP8.16
TPSA75.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.65
LogP ≤ 58.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(4-butoxyphenyl)-3-[3-[5-(4-butoxyphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazole
CID 118529706
3-(4-octoxyphenyl)-5-[5-[3-(4-octoxyphenyl)-1H-pyrazol-5-yl]thiophen-2-yl]-1H-pyrazole
CID 132560374
4-[3-[4-(2-ethoxyethoxy)phenyl]-1H-pyrazol-5-yl]aniline
CID 54853247
4-[[3-(3-pentoxyphenyl)-1H-pyrazol-5-yl]methoxy]aniline
CID 54852303
5-amino-3-(4-butoxyphenyl)-1H-pyridazin-6-one
CID 82467525
butyl 2-[3-[3-[5-(2-butoxycarbonylphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazol-5-yl]benzoate
CID 118529595
4-[3-[3-(2-phenylethoxy)phenyl]-1H-pyrazol-5-yl]aniline
CID 54853486
N-methyl-1-[3-(4-pentoxyphenyl)-1H-pyrazol-5-yl]methanamine
CID 54847474
3-[3-(3,5-didecoxyphenyl)-1H-pyrazol-5-yl]isoquinoline
CID 132545481
1-pentoxy-4-phenylbenzene
CID 7021155
3-[5-[4-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]-1H-pyrazol-3-yl]-N-propan-2-ylbenzamide
CID 66889752
2-(4-butoxyphenyl)-1,3-difluorobenzene
CID 59931484

Frequently Asked Questions

What is the IUPAC name of 5-(4-butoxyphenyl)-3-[3-[5-(4-butoxyphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazole?
The IUPAC name of 5-(4-butoxyphenyl)-3-[3-[5-(4-butoxyphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazole (CID 118529574) is 5-(4-butoxyphenyl)-3-[3-[5-(4-butoxyphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazole.
What is the SMILES notation for 5-(4-butoxyphenyl)-3-[3-[5-(4-butoxyphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazole?
The canonical SMILES for 5-(4-butoxyphenyl)-3-[3-[5-(4-butoxyphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazole is CCCCOc1ccc(-c2cc(-c3cccc(-c4cc(-c5ccc(OCCCC)cc5)[nH]n4)c3)n[nH]2)cc1.
What is the InChIKey of 5-(4-butoxyphenyl)-3-[3-[5-(4-butoxyphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazole?
The InChIKey is PGFIJOLXEIBUOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N4O2/c1-3-5-18-37-27-14-10-23(11-15-27)29-21-31(35-33-29)25-8-7-9-26(20-25)32-22-30(34-36-32)24-12-16-28(17-13-24)38-19-6-4-2/h7-17,20-22H,3-6,18-19H2,1-2H3,(H,33,35)(H,34,36).
What are the key properties of 5-(4-butoxyphenyl)-3-[3-[5-(4-butoxyphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazole?
5-(4-butoxyphenyl)-3-[3-[5-(4-butoxyphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazole has a molecular weight of 506.65 g/mol, XLogP of 8.16, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-butoxyphenyl)-3-[3-[5-(4-butoxyphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazole is sourced from PubChem (CID 118529574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).