3-amino-5-[(Z)-2-[5-(2-chloro-5-nitrophenyl)furan-2-yl]-1-cyanoethenyl]-1H-pyrazole-4-carbonitrile

C17H9ClN6O3 — CID 40507574

IUPAC3-amino-5-[(Z)-2-[5-(2-chloro-5-nitrophenyl)furan-2-yl]-1-cyanoethenyl]-1H-pyrazole-4-carbonitrile
SMILESN#C/C(=C\c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)c1[nH]nc(N)c1C#N
InChIInChI=1S/C17H9ClN6O3/c18-14-3-1-10(24(25)26)6-12(14)15-4-2-11(27-15)5-9(7-19)16-13(8-20)17(21)23-22-16/h1-6H,(H3,21,22,23)/b9-5+
InChIKeyMCUDZGSRFGGNEN-WEVVVXLNSA-N
MW380.75 g/mol
LogP3.75
Rot. Bonds4

About 3-amino-5-[(Z)-2-[5-(2-chloro-5-nitrophenyl)furan-2-yl]-1-cyanoethenyl]-1H-pyrazole-4-carbonitrile

3-amino-5-[(Z)-2-[5-(2-chloro-5-nitrophenyl)furan-2-yl]-1-cyanoethenyl]-1H-pyrazole-4-carbonitrile (PubChem CID 40507574) has the molecular formula C17H9ClN6O3 and a molecular weight of 380.75 g/mol. Its IUPAC name is 3-amino-5-[(Z)-2-[5-(2-chloro-5-nitrophenyl)furan-2-yl]-1-cyanoethenyl]-1H-pyrazole-4-carbonitrile.

Molecular Properties

Compound Name3-amino-5-[(Z)-2-[5-(2-chloro-5-nitrophenyl)furan-2-yl]-1-cyanoethenyl]-1H-pyrazole-4-carbonitrile
PubChem CID40507574
Molecular FormulaC17H9ClN6O3
Molecular Weight380.75 g/mol
Exact Mass380.04
IUPAC Name3-amino-5-[(Z)-2-[5-(2-chloro-5-nitrophenyl)furan-2-yl]-1-cyanoethenyl]-1H-pyrazole-4-carbonitrile
SMILESN#C/C(=C\c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)c1[nH]nc(N)c1C#N
InChIInChI=1S/C17H9ClN6O3/c18-14-3-1-10(24(25)26)6-12(14)15-4-2-11(27-15)5-9(7-19)16-13(8-20)17(21)23-22-16/h1-6H,(H3,21,22,23)/b9-5+
InChIKeyMCUDZGSRFGGNEN-WEVVVXLNSA-N
XLogP3.75
TPSA158.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.75
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-amino-5-[(Z)-2-[5-(2-chloro-5-nitrophenyl)furan-2-yl]-1-cyanoethenyl]-1H-pyrazole-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-{1-cyano-2-[5-(2-methyl-5-nitrophenyl)-2-furyl]vinyl}-1H-pyrazole-4-carbonitrile
CID 5337472
5-amino-3-(1-cyano-2-(5-(3-nitrophenyl)furan-2-yl)vinyl)-1H-pyrazole-4-carbonitrile
CID 5291130
3-amino-5-[(Z)-1-cyano-2-[5-(4-methyl-2-nitrophenyl)furan-2-yl]ethenyl]-1H-pyrazole-4-carbonitrile
CID 44588749
5-amino-3-{(Z)-1-cyano-2-[5-(3,4-dichlorophenyl)furan-2-yl]ethenyl}-1H-pyrazole-4-carbonitrile
CID 5917272
3-amino-5-[(E)-1-cyano-2-[5-(3,4-dichlorophenyl)furan-2-yl]ethenyl]-1H-pyrazole-4-carbonitrile
CID 5291018
3-amino-5-[2-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]-1-cyanoethenyl]-1H-pyrazole-4-carbonitrile
CID 3443954
3-amino-5-[(Z)-2-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]-1-cyanoethenyl]-1H-pyrazole-4-carbonitrile
CID 5827933
3-amino-5-[1-cyano-2-[5-(3,4-dichlorophenyl)furan-2-yl]ethenyl]-1H-pyrazole-4-carbonitrile
CID 2869849
N-[[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]-2H-tetrazol-5-amine
CID 3116482
3-amino-5-[1-cyano-2-[5-(3-nitrophenyl)furan-2-yl]ethenyl]-1H-pyrazole-4-carbonitrile
CID 3120573
3-amino-5-[1-cyano-2-[5-(2-methyl-5-nitrophenyl)furan-2-yl]ethenyl]-1H-pyrazole-4-carbonitrile
CID 3397859
3-amino-5-[1-cyano-2-[5-(3,5-dichlorophenyl)furan-2-yl]ethenyl]-1H-pyrazole-4-carbonitrile
CID 3443738

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[(Z)-2-[5-(2-chloro-5-nitrophenyl)furan-2-yl]-1-cyanoethenyl]-1H-pyrazole-4-carbonitrile?
The IUPAC name of 3-amino-5-[(Z)-2-[5-(2-chloro-5-nitrophenyl)furan-2-yl]-1-cyanoethenyl]-1H-pyrazole-4-carbonitrile (CID 40507574) is 3-amino-5-[(Z)-2-[5-(2-chloro-5-nitrophenyl)furan-2-yl]-1-cyanoethenyl]-1H-pyrazole-4-carbonitrile.
What is the SMILES notation for 3-amino-5-[(Z)-2-[5-(2-chloro-5-nitrophenyl)furan-2-yl]-1-cyanoethenyl]-1H-pyrazole-4-carbonitrile?
The canonical SMILES for 3-amino-5-[(Z)-2-[5-(2-chloro-5-nitrophenyl)furan-2-yl]-1-cyanoethenyl]-1H-pyrazole-4-carbonitrile is N#C/C(=C\c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)c1[nH]nc(N)c1C#N.
What is the InChIKey of 3-amino-5-[(Z)-2-[5-(2-chloro-5-nitrophenyl)furan-2-yl]-1-cyanoethenyl]-1H-pyrazole-4-carbonitrile?
The InChIKey is MCUDZGSRFGGNEN-WEVVVXLNSA-N. The full InChI is InChI=1S/C17H9ClN6O3/c18-14-3-1-10(24(25)26)6-12(14)15-4-2-11(27-15)5-9(7-19)16-13(8-20)17(21)23-22-16/h1-6H,(H3,21,22,23)/b9-5+.
What are the key properties of 3-amino-5-[(Z)-2-[5-(2-chloro-5-nitrophenyl)furan-2-yl]-1-cyanoethenyl]-1H-pyrazole-4-carbonitrile?
3-amino-5-[(Z)-2-[5-(2-chloro-5-nitrophenyl)furan-2-yl]-1-cyanoethenyl]-1H-pyrazole-4-carbonitrile has a molecular weight of 380.75 g/mol, XLogP of 3.75, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[(Z)-2-[5-(2-chloro-5-nitrophenyl)furan-2-yl]-1-cyanoethenyl]-1H-pyrazole-4-carbonitrile is sourced from PubChem (CID 40507574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).