4-[5-[(Z)-2-(5-amino-4-cyano-1-phenylpyrazol-3-yl)-2-cyanoethenyl]furan-2-yl]benzoic acid

C24H15N5O3 — CID 6196568

IUPAC4-[5-[(Z)-2-(5-amino-4-cyano-1-phenylpyrazol-3-yl)-2-cyanoethenyl]furan-2-yl]benzoic acid
SMILESN#C/C(=C\c1ccc(-c2ccc(C(=O)O)cc2)o1)c1nn(-c2ccccc2)c(N)c1C#N
InChIInChI=1S/C24H15N5O3/c25-13-17(22-20(14-26)23(27)29(28-22)18-4-2-1-3-5-18)12-19-10-11-21(32-19)15-6-8-16(9-7-15)24(30)31/h1-12H,27H2,(H,30,31)/b17-12+
InChIKeyUDICCLPDWBLJFL-SFQUDFHCSA-N
MW421.42 g/mol
LogP4.35
Rot. Bonds5

About 4-[5-[(Z)-2-(5-amino-4-cyano-1-phenylpyrazol-3-yl)-2-cyanoethenyl]furan-2-yl]benzoic acid

4-[5-[(Z)-2-(5-amino-4-cyano-1-phenylpyrazol-3-yl)-2-cyanoethenyl]furan-2-yl]benzoic acid (PubChem CID 6196568) has the molecular formula C24H15N5O3 and a molecular weight of 421.42 g/mol. Its IUPAC name is 4-[5-[(Z)-2-(5-amino-4-cyano-1-phenylpyrazol-3-yl)-2-cyanoethenyl]furan-2-yl]benzoic acid.

Molecular Properties

Compound Name4-[5-[(Z)-2-(5-amino-4-cyano-1-phenylpyrazol-3-yl)-2-cyanoethenyl]furan-2-yl]benzoic acid
PubChem CID6196568
Molecular FormulaC24H15N5O3
Molecular Weight421.42 g/mol
Exact Mass421.12
IUPAC Name4-[5-[(Z)-2-(5-amino-4-cyano-1-phenylpyrazol-3-yl)-2-cyanoethenyl]furan-2-yl]benzoic acid
SMILESN#C/C(=C\c1ccc(-c2ccc(C(=O)O)cc2)o1)c1nn(-c2ccccc2)c(N)c1C#N
InChIInChI=1S/C24H15N5O3/c25-13-17(22-20(14-26)23(27)29(28-22)18-4-2-1-3-5-18)12-19-10-11-21(32-19)15-6-8-16(9-7-15)24(30)31/h1-12H,27H2,(H,30,31)/b17-12+
InChIKeyUDICCLPDWBLJFL-SFQUDFHCSA-N
XLogP4.35
TPSA141.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.42
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-[5-[(Z)-2-(5-amino-4-cyano-1-phenylpyrazol-3-yl)-2-cyanoethenyl]furan-2-yl]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-amino-3-[2-[5-(4-bromophenyl)furan-2-yl]-1-cyanoethenyl]-1-phenylpyrazole-4-carbonitrile
CID 3100079
5-amino-3-[(Z)-2-[5-(4-chlorophenyl)furan-2-yl]-1-cyanoethenyl]-1-phenylpyrazole-4-carbonitrile
CID 5287370
5-amino-3-[(E)-2-[5-(3-chloro-4-methylphenyl)furan-2-yl]-1-cyanoethenyl]-1-phenylpyrazole-4-carbonitrile
CID 92911871
5-amino-3-[1-cyano-2-[5-(2,6-dichlorophenyl)furan-2-yl]ethenyl]-1-phenylpyrazole-4-carbonitrile
CID 3444686
5-amino-3-[2-[5-(1,3-benzothiazol-2-yl)furan-2-yl]-1-cyanoethenyl]-1-phenylpyrazole-4-carbonitrile
CID 3653005
5-amino-3-[2-[5-(5-chloro-2-methoxyphenyl)furan-2-yl]-1-cyanoethenyl]-1-phenylpyrazole-4-carbonitrile
CID 3122070
5-amino-3-[1-cyano-2-(2-fluorophenyl)ethenyl]-1-phenylpyrazole-4-carbonitrile
CID 2851488
5-amino-3-[2-[5-(4-bromophenyl)furan-2-yl]-1-cyanoethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile
CID 3904542
5-amino-3-[(Z)-1-cyano-2-[2-(trifluoromethyl)phenyl]ethenyl]-1-phenylpyrazole-4-carbonitrile
CID 5334314
5-amino-3-[1-cyano-2-(1,3-diphenylpyrazol-4-yl)ethenyl]-1-phenylpyrazole-4-carbonitrile
CID 4704577
5-amino-3-[(Z)-1-cyano-2-(2-methoxyphenyl)ethenyl]-1-phenylpyrazole-4-carbonitrile
CID 5287070
ethyl 3-[5-[2-(3-amino-4-cyano-1-phenylpyrazol-5-yl)-2-cyanoethenyl]furan-2-yl]benzoate
CID 2974830

Frequently Asked Questions

What is the IUPAC name of 4-[5-[(Z)-2-(5-amino-4-cyano-1-phenylpyrazol-3-yl)-2-cyanoethenyl]furan-2-yl]benzoic acid?
The IUPAC name of 4-[5-[(Z)-2-(5-amino-4-cyano-1-phenylpyrazol-3-yl)-2-cyanoethenyl]furan-2-yl]benzoic acid (CID 6196568) is 4-[5-[(Z)-2-(5-amino-4-cyano-1-phenylpyrazol-3-yl)-2-cyanoethenyl]furan-2-yl]benzoic acid.
What is the SMILES notation for 4-[5-[(Z)-2-(5-amino-4-cyano-1-phenylpyrazol-3-yl)-2-cyanoethenyl]furan-2-yl]benzoic acid?
The canonical SMILES for 4-[5-[(Z)-2-(5-amino-4-cyano-1-phenylpyrazol-3-yl)-2-cyanoethenyl]furan-2-yl]benzoic acid is N#C/C(=C\c1ccc(-c2ccc(C(=O)O)cc2)o1)c1nn(-c2ccccc2)c(N)c1C#N.
What is the InChIKey of 4-[5-[(Z)-2-(5-amino-4-cyano-1-phenylpyrazol-3-yl)-2-cyanoethenyl]furan-2-yl]benzoic acid?
The InChIKey is UDICCLPDWBLJFL-SFQUDFHCSA-N. The full InChI is InChI=1S/C24H15N5O3/c25-13-17(22-20(14-26)23(27)29(28-22)18-4-2-1-3-5-18)12-19-10-11-21(32-19)15-6-8-16(9-7-15)24(30)31/h1-12H,27H2,(H,30,31)/b17-12+.
What are the key properties of 4-[5-[(Z)-2-(5-amino-4-cyano-1-phenylpyrazol-3-yl)-2-cyanoethenyl]furan-2-yl]benzoic acid?
4-[5-[(Z)-2-(5-amino-4-cyano-1-phenylpyrazol-3-yl)-2-cyanoethenyl]furan-2-yl]benzoic acid has a molecular weight of 421.42 g/mol, XLogP of 4.35, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(Z)-2-(5-amino-4-cyano-1-phenylpyrazol-3-yl)-2-cyanoethenyl]furan-2-yl]benzoic acid is sourced from PubChem (CID 6196568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).