5-amino-3-[(Z)-2-cyano-2-(furan-2-yl)ethenyl]-1-phenylpyrazole-4-carbonitrile

C17H11N5O — CID 92970259

IUPAC5-amino-3-[(Z)-2-cyano-2-(furan-2-yl)ethenyl]-1-phenylpyrazole-4-carbonitrile
SMILESN#C/C(=C/c1nn(-c2ccccc2)c(N)c1C#N)c1ccco1
InChIInChI=1S/C17H11N5O/c18-10-12(16-7-4-8-23-16)9-15-14(11-19)17(20)22(21-15)13-5-2-1-3-6-13/h1-9H,20H2/b12-9-
InChIKeyYFOKYKOXQRCDFV-XFXZXTDPSA-N
MW301.31 g/mol
LogP2.98
Rot. Bonds3

About 5-amino-3-[(Z)-2-cyano-2-(furan-2-yl)ethenyl]-1-phenylpyrazole-4-carbonitrile

5-amino-3-[(Z)-2-cyano-2-(furan-2-yl)ethenyl]-1-phenylpyrazole-4-carbonitrile (PubChem CID 92970259) has the molecular formula C17H11N5O and a molecular weight of 301.31 g/mol. Its IUPAC name is 5-amino-3-[(Z)-2-cyano-2-(furan-2-yl)ethenyl]-1-phenylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-3-[(Z)-2-cyano-2-(furan-2-yl)ethenyl]-1-phenylpyrazole-4-carbonitrile
PubChem CID92970259
Molecular FormulaC17H11N5O
Molecular Weight301.31 g/mol
Exact Mass301.10
IUPAC Name5-amino-3-[(Z)-2-cyano-2-(furan-2-yl)ethenyl]-1-phenylpyrazole-4-carbonitrile
SMILESN#C/C(=C/c1nn(-c2ccccc2)c(N)c1C#N)c1ccco1
InChIInChI=1S/C17H11N5O/c18-10-12(16-7-4-8-23-16)9-15-14(11-19)17(20)22(21-15)13-5-2-1-3-6-13/h1-9H,20H2/b12-9-
InChIKeyYFOKYKOXQRCDFV-XFXZXTDPSA-N
XLogP2.98
TPSA104.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 52.98
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-cyano-2-(furan-2-yl)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

Related Compounds

5-amino-3-[(Z)-2-cyano-2-(furan-2-yl)ethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile
CID 56687805
5-amino-3-[1-cyano-2-(2-fluorophenyl)ethenyl]-1-phenylpyrazole-4-carbonitrile
CID 2851488
5-amino-3-[(Z)-1-cyano-2-[2-(trifluoromethyl)phenyl]ethenyl]-1-phenylpyrazole-4-carbonitrile
CID 5334314
5-amino-3-[(Z)-1-cyano-2-(2-methoxyphenyl)ethenyl]-1-phenylpyrazole-4-carbonitrile
CID 5287070
5-amino-3-[(E)-2-(1-benzylindol-3-yl)-1-cyanoethenyl]-1-phenylpyrazole-4-carbonitrile
CID 92858123
5-amino-3-[(E)-1-cyano-2-[4-(diethylamino)phenyl]ethenyl]-1-phenylpyrazole-4-carbonitrile
CID 92885741
5-amino-3-[1-cyano-2-(1,3-diphenylpyrazol-4-yl)ethenyl]-1-phenylpyrazole-4-carbonitrile
CID 4704577
5-amino-3-[(Z)-2-[5-(4-chlorophenyl)furan-2-yl]-1-cyanoethenyl]-1-phenylpyrazole-4-carbonitrile
CID 5287370
5-amino-3-[2-[5-(4-bromophenyl)furan-2-yl]-1-cyanoethenyl]-1-phenylpyrazole-4-carbonitrile
CID 3100079
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
(Z)-2-(furan-2-yl)-3-hydroxyprop-2-enenitrile
CID 119089971

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-[(Z)-2-cyano-2-(furan-2-yl)ethenyl]-1-phenylpyrazole-4-carbonitrile?
The IUPAC name of 5-amino-3-[(Z)-2-cyano-2-(furan-2-yl)ethenyl]-1-phenylpyrazole-4-carbonitrile (CID 92970259) is 5-amino-3-[(Z)-2-cyano-2-(furan-2-yl)ethenyl]-1-phenylpyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-3-[(Z)-2-cyano-2-(furan-2-yl)ethenyl]-1-phenylpyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-3-[(Z)-2-cyano-2-(furan-2-yl)ethenyl]-1-phenylpyrazole-4-carbonitrile is N#C/C(=C/c1nn(-c2ccccc2)c(N)c1C#N)c1ccco1.
What is the InChIKey of 5-amino-3-[(Z)-2-cyano-2-(furan-2-yl)ethenyl]-1-phenylpyrazole-4-carbonitrile?
The InChIKey is YFOKYKOXQRCDFV-XFXZXTDPSA-N. The full InChI is InChI=1S/C17H11N5O/c18-10-12(16-7-4-8-23-16)9-15-14(11-19)17(20)22(21-15)13-5-2-1-3-6-13/h1-9H,20H2/b12-9-.
What are the key properties of 5-amino-3-[(Z)-2-cyano-2-(furan-2-yl)ethenyl]-1-phenylpyrazole-4-carbonitrile?
5-amino-3-[(Z)-2-cyano-2-(furan-2-yl)ethenyl]-1-phenylpyrazole-4-carbonitrile has a molecular weight of 301.31 g/mol, XLogP of 2.98, 3 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-cyano-2-(furan-2-yl)ethenyl]-1-phenylpyrazole-4-carbonitrile is sourced from PubChem (CID 92970259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).