3-[4-(3,5-diphenylpyrazol-1-yl)phenyl]-1-[5-(4-fluorophenyl)furan-2-yl]prop-2-en-1-one

C34H23FN2O2 — CID 3444935

IUPAC3-[4-(3,5-diphenylpyrazol-1-yl)phenyl]-1-[5-(4-fluorophenyl)furan-2-yl]prop-2-en-1-one
SMILESO=C(C=Cc1ccc(-n2nc(-c3ccccc3)cc2-c2ccccc2)cc1)c1ccc(-c2ccc(F)cc2)o1
InChIInChI=1S/C34H23FN2O2/c35-28-16-14-27(15-17-28)33-21-22-34(39-33)32(38)20-13-24-11-18-29(19-12-24)37-31(26-9-5-2-6-10-26)23-30(36-37)25-7-3-1-4-8-25/h1-23H
InChIKeyKSUNMBKFLVXKQG-UHFFFAOYSA-N
MW510.57 g/mol
LogP8.50
Rot. Bonds7

About 3-[4-(3,5-diphenylpyrazol-1-yl)phenyl]-1-[5-(4-fluorophenyl)furan-2-yl]prop-2-en-1-one

3-[4-(3,5-diphenylpyrazol-1-yl)phenyl]-1-[5-(4-fluorophenyl)furan-2-yl]prop-2-en-1-one (PubChem CID 3444935) has the molecular formula C34H23FN2O2 and a molecular weight of 510.57 g/mol. Its IUPAC name is 3-[4-(3,5-diphenylpyrazol-1-yl)phenyl]-1-[5-(4-fluorophenyl)furan-2-yl]prop-2-en-1-one.

Molecular Properties

Compound Name3-[4-(3,5-diphenylpyrazol-1-yl)phenyl]-1-[5-(4-fluorophenyl)furan-2-yl]prop-2-en-1-one
PubChem CID3444935
Molecular FormulaC34H23FN2O2
Molecular Weight510.57 g/mol
Exact Mass510.17
IUPAC Name3-[4-(3,5-diphenylpyrazol-1-yl)phenyl]-1-[5-(4-fluorophenyl)furan-2-yl]prop-2-en-1-one
SMILESO=C(C=Cc1ccc(-n2nc(-c3ccccc3)cc2-c2ccccc2)cc1)c1ccc(-c2ccc(F)cc2)o1
InChIInChI=1S/C34H23FN2O2/c35-28-16-14-27(15-17-28)33-21-22-34(39-33)32(38)20-13-24-11-18-29(19-12-24)37-31(26-9-5-2-6-10-26)23-30(36-37)25-7-3-1-4-8-25/h1-23H
InChIKeyKSUNMBKFLVXKQG-UHFFFAOYSA-N
XLogP8.50
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.57
LogP ≤ 58.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-[5-(2-chlorophenyl)furan-2-yl]-3-[4-(3,5-diphenylpyrazol-1-yl)phenyl]prop-2-en-1-one
CID 3444937
3-(4-fluorophenyl)-1,5-diphenylpyrazole
CID 14978147
1,3,5-triphenylpyrazole
CID 626614
5-[[4-(3,5-diphenylpyrazol-1-yl)phenyl]methylidene]-4-(4-fluoroanilino)-1,3-thiazol-2-one
CID 3444833
1-[5-(3,4-dichlorophenyl)furan-2-yl]-3-[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]prop-2-en-1-one
CID 3445193
3-(4-fluorophenyl)-1-(4-phenylphenyl)prop-2-en-1-one
CID 4672651
4-[1-(4-aminophenyl)-3-phenylpyrazol-5-yl]aniline
CID 71342425
1-(4-fluorophenyl)-3-(2-methoxyphenyl)-5-phenylpyrazole
CID 71568811
5-[4-[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]phenyl]furan-2-carboxylic acid
CID 9034624
5-(4-chlorophenyl)-3-(4-fluorophenyl)-1-(4-methylsulfonylphenyl)pyrazole
CID 54568096
5-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-2-phenylpyridazin-3-one
CID 52912628
(E)-1-[3-(4-fluorophenyl)-1-phenylpyrazol-5-yl]hept-1-en-3-one
CID 139194107

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3,5-diphenylpyrazol-1-yl)phenyl]-1-[5-(4-fluorophenyl)furan-2-yl]prop-2-en-1-one?
The IUPAC name of 3-[4-(3,5-diphenylpyrazol-1-yl)phenyl]-1-[5-(4-fluorophenyl)furan-2-yl]prop-2-en-1-one (CID 3444935) is 3-[4-(3,5-diphenylpyrazol-1-yl)phenyl]-1-[5-(4-fluorophenyl)furan-2-yl]prop-2-en-1-one.
What is the SMILES notation for 3-[4-(3,5-diphenylpyrazol-1-yl)phenyl]-1-[5-(4-fluorophenyl)furan-2-yl]prop-2-en-1-one?
The canonical SMILES for 3-[4-(3,5-diphenylpyrazol-1-yl)phenyl]-1-[5-(4-fluorophenyl)furan-2-yl]prop-2-en-1-one is O=C(C=Cc1ccc(-n2nc(-c3ccccc3)cc2-c2ccccc2)cc1)c1ccc(-c2ccc(F)cc2)o1.
What is the InChIKey of 3-[4-(3,5-diphenylpyrazol-1-yl)phenyl]-1-[5-(4-fluorophenyl)furan-2-yl]prop-2-en-1-one?
The InChIKey is KSUNMBKFLVXKQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H23FN2O2/c35-28-16-14-27(15-17-28)33-21-22-34(39-33)32(38)20-13-24-11-18-29(19-12-24)37-31(26-9-5-2-6-10-26)23-30(36-37)25-7-3-1-4-8-25/h1-23H.
What are the key properties of 3-[4-(3,5-diphenylpyrazol-1-yl)phenyl]-1-[5-(4-fluorophenyl)furan-2-yl]prop-2-en-1-one?
3-[4-(3,5-diphenylpyrazol-1-yl)phenyl]-1-[5-(4-fluorophenyl)furan-2-yl]prop-2-en-1-one has a molecular weight of 510.57 g/mol, XLogP of 8.50, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3,5-diphenylpyrazol-1-yl)phenyl]-1-[5-(4-fluorophenyl)furan-2-yl]prop-2-en-1-one is sourced from PubChem (CID 3444935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).