1-[4-(1,2,2-tricyanoethenylamino)phenyl]pyrazole-3-carboxamide

C15H9N7O — CID 168608349

IUPAC1-[4-(1,2,2-tricyanoethenylamino)phenyl]pyrazole-3-carboxamide
SMILESN#CC(C#N)=C(C#N)Nc1ccc(-n2ccc(C(N)=O)n2)cc1
InChIInChI=1S/C15H9N7O/c16-7-10(8-17)14(9-18)20-11-1-3-12(4-2-11)22-6-5-13(21-22)15(19)23/h1-6,20H,(H2,19,23)
InChIKeyCZNZZECTHWHOFE-UHFFFAOYSA-N
MW303.29 g/mol
LogP1.21
Rot. Bonds4

About 1-[4-(1,2,2-tricyanoethenylamino)phenyl]pyrazole-3-carboxamide

1-[4-(1,2,2-tricyanoethenylamino)phenyl]pyrazole-3-carboxamide (PubChem CID 168608349) has the molecular formula C15H9N7O and a molecular weight of 303.29 g/mol. Its IUPAC name is 1-[4-(1,2,2-tricyanoethenylamino)phenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[4-(1,2,2-tricyanoethenylamino)phenyl]pyrazole-3-carboxamide
PubChem CID168608349
Molecular FormulaC15H9N7O
Molecular Weight303.29 g/mol
Exact Mass303.09
IUPAC Name1-[4-(1,2,2-tricyanoethenylamino)phenyl]pyrazole-3-carboxamide
SMILESN#CC(C#N)=C(C#N)Nc1ccc(-n2ccc(C(N)=O)n2)cc1
InChIInChI=1S/C15H9N7O/c16-7-10(8-17)14(9-18)20-11-1-3-12(4-2-11)22-6-5-13(21-22)15(19)23/h1-6,20H,(H2,19,23)
InChIKeyCZNZZECTHWHOFE-UHFFFAOYSA-N
XLogP1.21
TPSA144.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.29
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Related Compounds

1-(4-aminophenyl)pyrazole-3-carboxamide
CID 25247604
2-[4-(5-methyltetrazol-2-yl)anilino]ethene-1,1,2-tricarbonitrile
CID 168609780
1-(4-carbamothioylphenyl)pyrazole-3-carboxamide
CID 64782843
1-[4-[[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]amino]phenyl]pyrazole-3-carboxamide
CID 56585894
1-[4-[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]phenyl]pyrazole-3-carboxamide
CID 56507284
1-[4-[3-(2,3,4-trimethoxyphenyl)propanoylamino]phenyl]pyrazole-3-carboxamide
CID 56508429
1-[4-(4-cyclohexylbutanoylamino)phenyl]pyrazole-3-carboxamide
CID 56506902
5-bromo-N-[4-(3-carbamoylpyrazol-1-yl)phenyl]-2-chloropyridine-3-carboxamide
CID 56506893
1-[4-[(9-oxofluorene-2-carbonyl)amino]phenyl]pyrazole-3-carboxamide
CID 56507280
2-[4-(5-ethyltetrazol-2-yl)anilino]ethene-1,1,2-tricarbonitrile
CID 168609782
1-[4-[2-(dicyanomethylidene)hydrazinyl]phenyl]pyrazole-3-carboxylic acid
CID 169339917
N-[4-(3-carbamoylpyrazol-1-yl)phenyl]-1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 86887856

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,2,2-tricyanoethenylamino)phenyl]pyrazole-3-carboxamide?
The IUPAC name of 1-[4-(1,2,2-tricyanoethenylamino)phenyl]pyrazole-3-carboxamide (CID 168608349) is 1-[4-(1,2,2-tricyanoethenylamino)phenyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-[4-(1,2,2-tricyanoethenylamino)phenyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-[4-(1,2,2-tricyanoethenylamino)phenyl]pyrazole-3-carboxamide is N#CC(C#N)=C(C#N)Nc1ccc(-n2ccc(C(N)=O)n2)cc1.
What is the InChIKey of 1-[4-(1,2,2-tricyanoethenylamino)phenyl]pyrazole-3-carboxamide?
The InChIKey is CZNZZECTHWHOFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9N7O/c16-7-10(8-17)14(9-18)20-11-1-3-12(4-2-11)22-6-5-13(21-22)15(19)23/h1-6,20H,(H2,19,23).
What are the key properties of 1-[4-(1,2,2-tricyanoethenylamino)phenyl]pyrazole-3-carboxamide?
1-[4-(1,2,2-tricyanoethenylamino)phenyl]pyrazole-3-carboxamide has a molecular weight of 303.29 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,2,2-tricyanoethenylamino)phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 168608349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).