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

C24H13ClF3N5O — CID 3443955

IUPAC5-amino-3-[2-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]-1-cyanoethenyl]-1-phenylpyrazole-4-carbonitrile
SMILESN#CC(=Cc1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1)c1nn(-c2ccccc2)c(N)c1C#N
InChIInChI=1S/C24H13ClF3N5O/c25-20-8-6-15(24(26,27)28)11-18(20)21-9-7-17(34-21)10-14(12-29)22-19(13-30)23(31)33(32-22)16-4-2-1-3-5-16/h1-11H,31H2
InChIKeyFQFJDIMYKCLAMH-UHFFFAOYSA-N
MW479.85 g/mol
LogP6.32
Rot. Bonds4

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

5-amino-3-[2-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]-1-cyanoethenyl]-1-phenylpyrazole-4-carbonitrile (PubChem CID 3443955) has the molecular formula C24H13ClF3N5O and a molecular weight of 479.85 g/mol. Its IUPAC name is 5-amino-3-[2-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]-1-cyanoethenyl]-1-phenylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-3-[2-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]-1-cyanoethenyl]-1-phenylpyrazole-4-carbonitrile
PubChem CID3443955
Molecular FormulaC24H13ClF3N5O
Molecular Weight479.85 g/mol
Exact Mass479.08
IUPAC Name5-amino-3-[2-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]-1-cyanoethenyl]-1-phenylpyrazole-4-carbonitrile
SMILESN#CC(=Cc1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1)c1nn(-c2ccccc2)c(N)c1C#N
InChIInChI=1S/C24H13ClF3N5O/c25-20-8-6-15(24(26,27)28)11-18(20)21-9-7-17(34-21)10-14(12-29)22-19(13-30)23(31)33(32-22)16-4-2-1-3-5-16/h1-11H,31H2
InChIKeyFQFJDIMYKCLAMH-UHFFFAOYSA-N
XLogP6.32
TPSA104.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.85
LogP ≤ 56.32
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-[2-[5-[2-chloro-5-(trifluoromethyl)phenyl]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-[2-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]-1-cyanoethenyl]-1-phenylpyrazole-4-carbonitrile?
The IUPAC name of 5-amino-3-[2-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]-1-cyanoethenyl]-1-phenylpyrazole-4-carbonitrile (CID 3443955) is 5-amino-3-[2-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]-1-cyanoethenyl]-1-phenylpyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-3-[2-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]-1-cyanoethenyl]-1-phenylpyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-3-[2-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]-1-cyanoethenyl]-1-phenylpyrazole-4-carbonitrile is N#CC(=Cc1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1)c1nn(-c2ccccc2)c(N)c1C#N.
What is the InChIKey of 5-amino-3-[2-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]-1-cyanoethenyl]-1-phenylpyrazole-4-carbonitrile?
The InChIKey is FQFJDIMYKCLAMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H13ClF3N5O/c25-20-8-6-15(24(26,27)28)11-18(20)21-9-7-17(34-21)10-14(12-29)22-19(13-30)23(31)33(32-22)16-4-2-1-3-5-16/h1-11H,31H2.
What are the key properties of 5-amino-3-[2-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]-1-cyanoethenyl]-1-phenylpyrazole-4-carbonitrile?
5-amino-3-[2-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]-1-cyanoethenyl]-1-phenylpyrazole-4-carbonitrile has a molecular weight of 479.85 g/mol, XLogP of 6.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-[2-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]-1-cyanoethenyl]-1-phenylpyrazole-4-carbonitrile is sourced from PubChem (CID 3443955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).