5-amino-3-[(E)-1-cyano-2-[4-(diethylamino)phenyl]ethenyl]-1-phenylpyrazole-4-carbonitrile

C23H22N6 — CID 92885741

IUPAC5-amino-3-[(E)-1-cyano-2-[4-(diethylamino)phenyl]ethenyl]-1-phenylpyrazole-4-carbonitrile
SMILESCCN(CC)c1ccc(/C=C(/C#N)c2nn(-c3ccccc3)c(N)c2C#N)cc1
InChIInChI=1S/C23H22N6/c1-3-28(4-2)19-12-10-17(11-13-19)14-18(15-24)22-21(16-25)23(26)29(27-22)20-8-6-5-7-9-20/h5-14H,3-4,26H2,1-2H3/b18-14-
InChIKeyMOTJXVKERVMPDT-JXAWBTAJSA-N
MW382.47 g/mol
LogP4.24
Rot. Bonds6

About 5-amino-3-[(E)-1-cyano-2-[4-(diethylamino)phenyl]ethenyl]-1-phenylpyrazole-4-carbonitrile

5-amino-3-[(E)-1-cyano-2-[4-(diethylamino)phenyl]ethenyl]-1-phenylpyrazole-4-carbonitrile (PubChem CID 92885741) has the molecular formula C23H22N6 and a molecular weight of 382.47 g/mol. Its IUPAC name is 5-amino-3-[(E)-1-cyano-2-[4-(diethylamino)phenyl]ethenyl]-1-phenylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-3-[(E)-1-cyano-2-[4-(diethylamino)phenyl]ethenyl]-1-phenylpyrazole-4-carbonitrile
PubChem CID92885741
Molecular FormulaC23H22N6
Molecular Weight382.47 g/mol
Exact Mass382.19
IUPAC Name5-amino-3-[(E)-1-cyano-2-[4-(diethylamino)phenyl]ethenyl]-1-phenylpyrazole-4-carbonitrile
SMILESCCN(CC)c1ccc(/C=C(/C#N)c2nn(-c3ccccc3)c(N)c2C#N)cc1
InChIInChI=1S/C23H22N6/c1-3-28(4-2)19-12-10-17(11-13-19)14-18(15-24)22-21(16-25)23(26)29(27-22)20-8-6-5-7-9-20/h5-14H,3-4,26H2,1-2H3/b18-14-
InChIKeyMOTJXVKERVMPDT-JXAWBTAJSA-N
XLogP4.24
TPSA94.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

Analyze 5-amino-3-[(E)-1-cyano-2-[4-(diethylamino)phenyl]ethenyl]-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-[(E)-1-cyano-2-[4-(diethylamino)phenyl]ethenyl]-1-phenylpyrazole-4-carbonitrile?
The IUPAC name of 5-amino-3-[(E)-1-cyano-2-[4-(diethylamino)phenyl]ethenyl]-1-phenylpyrazole-4-carbonitrile (CID 92885741) is 5-amino-3-[(E)-1-cyano-2-[4-(diethylamino)phenyl]ethenyl]-1-phenylpyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-3-[(E)-1-cyano-2-[4-(diethylamino)phenyl]ethenyl]-1-phenylpyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-3-[(E)-1-cyano-2-[4-(diethylamino)phenyl]ethenyl]-1-phenylpyrazole-4-carbonitrile is CCN(CC)c1ccc(/C=C(/C#N)c2nn(-c3ccccc3)c(N)c2C#N)cc1.
What is the InChIKey of 5-amino-3-[(E)-1-cyano-2-[4-(diethylamino)phenyl]ethenyl]-1-phenylpyrazole-4-carbonitrile?
The InChIKey is MOTJXVKERVMPDT-JXAWBTAJSA-N. The full InChI is InChI=1S/C23H22N6/c1-3-28(4-2)19-12-10-17(11-13-19)14-18(15-24)22-21(16-25)23(26)29(27-22)20-8-6-5-7-9-20/h5-14H,3-4,26H2,1-2H3/b18-14-.
What are the key properties of 5-amino-3-[(E)-1-cyano-2-[4-(diethylamino)phenyl]ethenyl]-1-phenylpyrazole-4-carbonitrile?
5-amino-3-[(E)-1-cyano-2-[4-(diethylamino)phenyl]ethenyl]-1-phenylpyrazole-4-carbonitrile has a molecular weight of 382.47 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-[(E)-1-cyano-2-[4-(diethylamino)phenyl]ethenyl]-1-phenylpyrazole-4-carbonitrile is sourced from PubChem (CID 92885741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).