5-[5-(4-bromophenyl)furan-2-yl]-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole

C20H17BrN2O2 — CID 10668490

IUPAC5-[5-(4-bromophenyl)furan-2-yl]-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole
SMILESCOc1ccc(C2=NNC(c3ccc(-c4ccc(Br)cc4)o3)C2)cc1
InChIInChI=1S/C20H17BrN2O2/c1-24-16-8-4-13(5-9-16)17-12-18(23-22-17)20-11-10-19(25-20)14-2-6-15(21)7-3-14/h2-11,18,23H,12H2,1H3
InChIKeyAAGSDLNMLVBWGJ-UHFFFAOYSA-N
MW397.27 g/mol
LogP5.16
Rot. Bonds4

About 5-[5-(4-bromophenyl)furan-2-yl]-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole

5-[5-(4-bromophenyl)furan-2-yl]-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole (PubChem CID 10668490) has the molecular formula C20H17BrN2O2 and a molecular weight of 397.27 g/mol. Its IUPAC name is 5-[5-(4-bromophenyl)furan-2-yl]-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole.

Molecular Properties

Compound Name5-[5-(4-bromophenyl)furan-2-yl]-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole
PubChem CID10668490
Molecular FormulaC20H17BrN2O2
Molecular Weight397.27 g/mol
Exact Mass396.05
IUPAC Name5-[5-(4-bromophenyl)furan-2-yl]-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole
SMILESCOc1ccc(C2=NNC(c3ccc(-c4ccc(Br)cc4)o3)C2)cc1
InChIInChI=1S/C20H17BrN2O2/c1-24-16-8-4-13(5-9-16)17-12-18(23-22-17)20-11-10-19(25-20)14-2-6-15(21)7-3-14/h2-11,18,23H,12H2,1H3
InChIKeyAAGSDLNMLVBWGJ-UHFFFAOYSA-N
XLogP5.16
TPSA46.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.27
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5S)-3-(4-methoxyphenyl)-5-thiophen-2-yl-4,5-dihydro-1H-pyrazole
CID 40741628
5-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole
CID 4738355
3-(4-bromophenyl)-5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazole
CID 15628692
5-(4-methoxyphenyl)-3-[3-[5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]-4,5-dihydro-1H-pyrazole
CID 14531319
5-(4-bromophenyl)-3-(4-phenylphenyl)-4,5-dihydro-1H-pyrazole
CID 23583457
4-[3-[4-[[4,6-bis(4-methoxyanilino)-1,3,5-triazin-2-yl]amino]phenyl]-4,5-dihydro-1H-pyrazol-5-yl]phenol
CID 71493357
2-[(5R)-3-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-5-yl]-1H-benzimidazole
CID 6934859
3-(4-methoxyphenyl)-4-[3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]-1-phenylpyrazole
CID 172717363
2-bromo-5-(4-methoxyphenyl)-1,3-oxazole
CID 117259601
2-(4-methoxyphenyl)-5-methylfuran
CID 11171456
4-[4-[5-(3,5-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]morpholine
CID 53328488
3-[3-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-5-yl]-2-chloro-7-methylquinoline
CID 3101627

Frequently Asked Questions

What is the IUPAC name of 5-[5-(4-bromophenyl)furan-2-yl]-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole?
The IUPAC name of 5-[5-(4-bromophenyl)furan-2-yl]-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole (CID 10668490) is 5-[5-(4-bromophenyl)furan-2-yl]-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole.
What is the SMILES notation for 5-[5-(4-bromophenyl)furan-2-yl]-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole?
The canonical SMILES for 5-[5-(4-bromophenyl)furan-2-yl]-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole is COc1ccc(C2=NNC(c3ccc(-c4ccc(Br)cc4)o3)C2)cc1.
What is the InChIKey of 5-[5-(4-bromophenyl)furan-2-yl]-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole?
The InChIKey is AAGSDLNMLVBWGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrN2O2/c1-24-16-8-4-13(5-9-16)17-12-18(23-22-17)20-11-10-19(25-20)14-2-6-15(21)7-3-14/h2-11,18,23H,12H2,1H3.
What are the key properties of 5-[5-(4-bromophenyl)furan-2-yl]-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole?
5-[5-(4-bromophenyl)furan-2-yl]-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole has a molecular weight of 397.27 g/mol, XLogP of 5.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(4-bromophenyl)furan-2-yl]-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole is sourced from PubChem (CID 10668490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).