(E)-1-[5-(2-chlorophenyl)furan-2-yl]-3-(5-phenyl-1H-pyrazol-4-yl)prop-2-en-1-one

C22H15ClN2O2 — CID 6196005

IUPAC(E)-1-[5-(2-chlorophenyl)furan-2-yl]-3-(5-phenyl-1H-pyrazol-4-yl)prop-2-en-1-one
SMILESO=C(/C=C/c1cn[nH]c1-c1ccccc1)c1ccc(-c2ccccc2Cl)o1
InChIInChI=1S/C22H15ClN2O2/c23-18-9-5-4-8-17(18)20-12-13-21(27-20)19(26)11-10-16-14-24-25-22(16)15-6-2-1-3-7-15/h1-14H,(H,24,25)/b11-10+
InChIKeyCXQFDMYYIWTEMA-ZHACJKMWSA-N
MW374.83 g/mol
LogP5.89
Rot. Bonds5

About (E)-1-[5-(2-chlorophenyl)furan-2-yl]-3-(5-phenyl-1H-pyrazol-4-yl)prop-2-en-1-one

(E)-1-[5-(2-chlorophenyl)furan-2-yl]-3-(5-phenyl-1H-pyrazol-4-yl)prop-2-en-1-one (PubChem CID 6196005) has the molecular formula C22H15ClN2O2 and a molecular weight of 374.83 g/mol. Its IUPAC name is (E)-1-[5-(2-chlorophenyl)furan-2-yl]-3-(5-phenyl-1H-pyrazol-4-yl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-[5-(2-chlorophenyl)furan-2-yl]-3-(5-phenyl-1H-pyrazol-4-yl)prop-2-en-1-one
PubChem CID6196005
Molecular FormulaC22H15ClN2O2
Molecular Weight374.83 g/mol
Exact Mass374.08
IUPAC Name(E)-1-[5-(2-chlorophenyl)furan-2-yl]-3-(5-phenyl-1H-pyrazol-4-yl)prop-2-en-1-one
SMILESO=C(/C=C/c1cn[nH]c1-c1ccccc1)c1ccc(-c2ccccc2Cl)o1
InChIInChI=1S/C22H15ClN2O2/c23-18-9-5-4-8-17(18)20-12-13-21(27-20)19(26)11-10-16-14-24-25-22(16)15-6-2-1-3-7-15/h1-14H,(H,24,25)/b11-10+
InChIKeyCXQFDMYYIWTEMA-ZHACJKMWSA-N
XLogP5.89
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.83
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[5-(2,3-dichlorophenyl)furan-2-yl]-3-[5-(3-nitrophenyl)-1H-pyrazol-4-yl]prop-2-en-1-one
CID 4709798
1-[5-(2,5-dichlorophenyl)furan-2-yl]-3-[5-(3-nitrophenyl)-1H-pyrazol-4-yl]prop-2-en-1-one
CID 4709797
1-[5-(3,4-dichlorophenyl)furan-2-yl]-3-[5-(3-nitrophenyl)-1H-pyrazol-4-yl]prop-2-en-1-one
CID 4709796
1-[5-(2-chlorophenyl)furan-2-yl]-3-(3-phenyl-2,1-benzoxazol-5-yl)prop-2-en-1-one
CID 4709596
4-hydroxy-6-methyl-3-[(E)-3-(5-phenyl-1H-pyrazol-4-yl)prop-2-enoyl]pyran-2-one
CID 135621894
1-[5-(2-chlorophenyl)furan-2-yl]-3-[4-(3,5-diphenylpyrazol-1-yl)phenyl]prop-2-en-1-one
CID 3444937
5-(2-chlorophenyl)furan-2-carboxylic acid
CID 784625
1-[5-(2,5-dichlorophenyl)furan-2-yl]-3-(1,3-diphenylpyrazol-4-yl)prop-2-en-1-one
CID 4704593
(E)-3-[5-(3-nitrophenyl)-1H-pyrazol-4-yl]-1-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]prop-2-en-1-one
CID 6196335
3-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-1-[5-(2,4-dichlorophenyl)furan-2-yl]prop-2-en-1-one
CID 4014112
4-[5-[3-[5-(2,3-dichlorophenyl)furan-2-yl]-3-oxoprop-1-enyl]furan-2-yl]benzoic acid
CID 4710043
(2-chlorophenyl)-(5-phenyl-1H-pyrazol-4-yl)methanone
CID 15869682

Frequently Asked Questions

What is the IUPAC name of (E)-1-[5-(2-chlorophenyl)furan-2-yl]-3-(5-phenyl-1H-pyrazol-4-yl)prop-2-en-1-one?
The IUPAC name of (E)-1-[5-(2-chlorophenyl)furan-2-yl]-3-(5-phenyl-1H-pyrazol-4-yl)prop-2-en-1-one (CID 6196005) is (E)-1-[5-(2-chlorophenyl)furan-2-yl]-3-(5-phenyl-1H-pyrazol-4-yl)prop-2-en-1-one.
What is the SMILES notation for (E)-1-[5-(2-chlorophenyl)furan-2-yl]-3-(5-phenyl-1H-pyrazol-4-yl)prop-2-en-1-one?
The canonical SMILES for (E)-1-[5-(2-chlorophenyl)furan-2-yl]-3-(5-phenyl-1H-pyrazol-4-yl)prop-2-en-1-one is O=C(/C=C/c1cn[nH]c1-c1ccccc1)c1ccc(-c2ccccc2Cl)o1.
What is the InChIKey of (E)-1-[5-(2-chlorophenyl)furan-2-yl]-3-(5-phenyl-1H-pyrazol-4-yl)prop-2-en-1-one?
The InChIKey is CXQFDMYYIWTEMA-ZHACJKMWSA-N. The full InChI is InChI=1S/C22H15ClN2O2/c23-18-9-5-4-8-17(18)20-12-13-21(27-20)19(26)11-10-16-14-24-25-22(16)15-6-2-1-3-7-15/h1-14H,(H,24,25)/b11-10+.
What are the key properties of (E)-1-[5-(2-chlorophenyl)furan-2-yl]-3-(5-phenyl-1H-pyrazol-4-yl)prop-2-en-1-one?
(E)-1-[5-(2-chlorophenyl)furan-2-yl]-3-(5-phenyl-1H-pyrazol-4-yl)prop-2-en-1-one has a molecular weight of 374.83 g/mol, XLogP of 5.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[5-(2-chlorophenyl)furan-2-yl]-3-(5-phenyl-1H-pyrazol-4-yl)prop-2-en-1-one is sourced from PubChem (CID 6196005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).