5-amino-3-[(Z)-2-[5-(3-chloro-4-methylphenyl)furan-2-yl]-1-cyanoethenyl]-1-phenylpyrazole-4-carbonitrile

C24H16ClN5O — CID 5287170

IUPAC5-amino-3-[(Z)-2-[5-(3-chloro-4-methylphenyl)furan-2-yl]-1-cyanoethenyl]-1-phenylpyrazole-4-carbonitrile
SMILESCc1ccc(-c2ccc(/C=C(\C#N)c3nn(-c4ccccc4)c(N)c3C#N)o2)cc1Cl
InChIInChI=1S/C24H16ClN5O/c1-15-7-8-16(12-21(15)25)22-10-9-19(31-22)11-17(13-26)23-20(14-27)24(28)30(29-23)18-5-3-2-4-6-18/h2-12H,28H2,1H3/b17-11+
InChIKeyZOFDZPCJWILVQD-GZTJUZNOSA-N
MW425.88 g/mol
LogP5.61
Rot. Bonds4

About 5-amino-3-[(Z)-2-[5-(3-chloro-4-methylphenyl)furan-2-yl]-1-cyanoethenyl]-1-phenylpyrazole-4-carbonitrile

5-amino-3-[(Z)-2-[5-(3-chloro-4-methylphenyl)furan-2-yl]-1-cyanoethenyl]-1-phenylpyrazole-4-carbonitrile (PubChem CID 5287170) has the molecular formula C24H16ClN5O and a molecular weight of 425.88 g/mol. Its IUPAC name is 5-amino-3-[(Z)-2-[5-(3-chloro-4-methylphenyl)furan-2-yl]-1-cyanoethenyl]-1-phenylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-3-[(Z)-2-[5-(3-chloro-4-methylphenyl)furan-2-yl]-1-cyanoethenyl]-1-phenylpyrazole-4-carbonitrile
PubChem CID5287170
Molecular FormulaC24H16ClN5O
Molecular Weight425.88 g/mol
Exact Mass425.10
IUPAC Name5-amino-3-[(Z)-2-[5-(3-chloro-4-methylphenyl)furan-2-yl]-1-cyanoethenyl]-1-phenylpyrazole-4-carbonitrile
SMILESCc1ccc(-c2ccc(/C=C(\C#N)c3nn(-c4ccccc4)c(N)c3C#N)o2)cc1Cl
InChIInChI=1S/C24H16ClN5O/c1-15-7-8-16(12-21(15)25)22-10-9-19(31-22)11-17(13-26)23-20(14-27)24(28)30(29-23)18-5-3-2-4-6-18/h2-12H,28H2,1H3/b17-11+
InChIKeyZOFDZPCJWILVQD-GZTJUZNOSA-N
XLogP5.61
TPSA104.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.88
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-amino-3-[(Z)-2-[5-(3-chloro-4-methylphenyl)furan-2-yl]-1-cyanoethenyl]-1-phenylpyrazole-4-carbonitrile with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-[(Z)-2-[5-(3-chloro-4-methylphenyl)furan-2-yl]-1-cyanoethenyl]-1-phenylpyrazole-4-carbonitrile?
The IUPAC name of 5-amino-3-[(Z)-2-[5-(3-chloro-4-methylphenyl)furan-2-yl]-1-cyanoethenyl]-1-phenylpyrazole-4-carbonitrile (CID 5287170) is 5-amino-3-[(Z)-2-[5-(3-chloro-4-methylphenyl)furan-2-yl]-1-cyanoethenyl]-1-phenylpyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-3-[(Z)-2-[5-(3-chloro-4-methylphenyl)furan-2-yl]-1-cyanoethenyl]-1-phenylpyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-3-[(Z)-2-[5-(3-chloro-4-methylphenyl)furan-2-yl]-1-cyanoethenyl]-1-phenylpyrazole-4-carbonitrile is Cc1ccc(-c2ccc(/C=C(\C#N)c3nn(-c4ccccc4)c(N)c3C#N)o2)cc1Cl.
What is the InChIKey of 5-amino-3-[(Z)-2-[5-(3-chloro-4-methylphenyl)furan-2-yl]-1-cyanoethenyl]-1-phenylpyrazole-4-carbonitrile?
The InChIKey is ZOFDZPCJWILVQD-GZTJUZNOSA-N. The full InChI is InChI=1S/C24H16ClN5O/c1-15-7-8-16(12-21(15)25)22-10-9-19(31-22)11-17(13-26)23-20(14-27)24(28)30(29-23)18-5-3-2-4-6-18/h2-12H,28H2,1H3/b17-11+.
What are the key properties of 5-amino-3-[(Z)-2-[5-(3-chloro-4-methylphenyl)furan-2-yl]-1-cyanoethenyl]-1-phenylpyrazole-4-carbonitrile?
5-amino-3-[(Z)-2-[5-(3-chloro-4-methylphenyl)furan-2-yl]-1-cyanoethenyl]-1-phenylpyrazole-4-carbonitrile has a molecular weight of 425.88 g/mol, XLogP of 5.61, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-[(Z)-2-[5-(3-chloro-4-methylphenyl)furan-2-yl]-1-cyanoethenyl]-1-phenylpyrazole-4-carbonitrile is sourced from PubChem (CID 5287170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).