2-[2-(4-nitropyrazol-1-yl)anilino]ethene-1,1,2-tricarbonitrile

C14H7N7O2 — CID 168609797

IUPAC2-[2-(4-nitropyrazol-1-yl)anilino]ethene-1,1,2-tricarbonitrile
SMILESN#CC(C#N)=C(C#N)Nc1ccccc1-n1cc([N+](=O)[O-])cn1
InChIInChI=1S/C14H7N7O2/c15-5-10(6-16)13(7-17)19-12-3-1-2-4-14(12)20-9-11(8-18-20)21(22)23/h1-4,8-9,19H
InChIKeyOMRJNLSUKNSJOU-UHFFFAOYSA-N
MW305.26 g/mol
LogP2.02
Rot. Bonds4

About 2-[2-(4-nitropyrazol-1-yl)anilino]ethene-1,1,2-tricarbonitrile

2-[2-(4-nitropyrazol-1-yl)anilino]ethene-1,1,2-tricarbonitrile (PubChem CID 168609797) has the molecular formula C14H7N7O2 and a molecular weight of 305.26 g/mol. Its IUPAC name is 2-[2-(4-nitropyrazol-1-yl)anilino]ethene-1,1,2-tricarbonitrile.

Molecular Properties

Compound Name2-[2-(4-nitropyrazol-1-yl)anilino]ethene-1,1,2-tricarbonitrile
PubChem CID168609797
Molecular FormulaC14H7N7O2
Molecular Weight305.26 g/mol
Exact Mass305.07
IUPAC Name2-[2-(4-nitropyrazol-1-yl)anilino]ethene-1,1,2-tricarbonitrile
SMILESN#CC(C#N)=C(C#N)Nc1ccccc1-n1cc([N+](=O)[O-])cn1
InChIInChI=1S/C14H7N7O2/c15-5-10(6-16)13(7-17)19-12-3-1-2-4-14(12)20-9-11(8-18-20)21(22)23/h1-4,8-9,19H
InChIKeyOMRJNLSUKNSJOU-UHFFFAOYSA-N
XLogP2.02
TPSA144.36 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.26
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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 2-[2-(4-nitropyrazol-1-yl)anilino]ethene-1,1,2-tricarbonitrile 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

3-[2-(4-nitropyrazol-1-yl)anilino]-2-(2H-tetrazol-5-yl)prop-2-enenitrile
CID 169345933
2-(2-methyl-3-nitroanilino)ethene-1,1,2-tricarbonitrile
CID 168600567
2-(2,3-dinitroanilino)ethene-1,1,2-tricarbonitrile
CID 168610866
4-nitro-1-phenylpyrazole
CID 2755894
2-[2-(2-oxo-1,3-oxazolidin-3-yl)anilino]ethene-1,1,2-tricarbonitrile
CID 168609625
4-methyl-2-(4-nitropyrazol-1-yl)benzoic acid
CID 55107284
N-[2-(azepan-1-yl)phenyl]-3-(4-nitropyrazol-1-yl)propanamide
CID 60574074
N-[2-(4-bromopyrazol-1-yl)phenyl]-2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 55764460
N-(2-methylphenyl)-2-[(5-nitro-2-pyridinyl)sulfanyl]acetamide
CID 124594955
2-(4-nitropyrazol-1-yl)-N-(2-propylphenyl)acetamide
CID 31870599
(1Z)-3-cyano-N-hydroxy-4-(4-nitropyrazol-1-yl)benzenecarboximidoyl chloride
CID 87266478
N-(3-chloro-2-methylphenyl)-2-(4-nitropyrazol-1-yl)acetamide
CID 19515897

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-nitropyrazol-1-yl)anilino]ethene-1,1,2-tricarbonitrile?
The IUPAC name of 2-[2-(4-nitropyrazol-1-yl)anilino]ethene-1,1,2-tricarbonitrile (CID 168609797) is 2-[2-(4-nitropyrazol-1-yl)anilino]ethene-1,1,2-tricarbonitrile.
What is the SMILES notation for 2-[2-(4-nitropyrazol-1-yl)anilino]ethene-1,1,2-tricarbonitrile?
The canonical SMILES for 2-[2-(4-nitropyrazol-1-yl)anilino]ethene-1,1,2-tricarbonitrile is N#CC(C#N)=C(C#N)Nc1ccccc1-n1cc([N+](=O)[O-])cn1.
What is the InChIKey of 2-[2-(4-nitropyrazol-1-yl)anilino]ethene-1,1,2-tricarbonitrile?
The InChIKey is OMRJNLSUKNSJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7N7O2/c15-5-10(6-16)13(7-17)19-12-3-1-2-4-14(12)20-9-11(8-18-20)21(22)23/h1-4,8-9,19H.
What are the key properties of 2-[2-(4-nitropyrazol-1-yl)anilino]ethene-1,1,2-tricarbonitrile?
2-[2-(4-nitropyrazol-1-yl)anilino]ethene-1,1,2-tricarbonitrile has a molecular weight of 305.26 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-nitropyrazol-1-yl)anilino]ethene-1,1,2-tricarbonitrile is sourced from PubChem (CID 168609797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).