2-cyano-3-(1H-indazol-5-yl)-N,N-dimethylprop-2-enamide

C13H12N4O — CID 67207778

IUPAC2-cyano-3-(1H-indazol-5-yl)-N,N-dimethylprop-2-enamide
SMILESCN(C)C(=O)C(C#N)=Cc1ccc2[nH]ncc2c1
InChIInChI=1S/C13H12N4O/c1-17(2)13(18)10(7-14)5-9-3-4-12-11(6-9)8-15-16-12/h3-6,8H,1-2H3,(H,15,16)
InChIKeyFRHBBZWOHGDFFT-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.56
Rot. Bonds2

About 2-cyano-3-(1H-indazol-5-yl)-N,N-dimethylprop-2-enamide

2-cyano-3-(1H-indazol-5-yl)-N,N-dimethylprop-2-enamide (PubChem CID 67207778) has the molecular formula C13H12N4O and a molecular weight of 240.27 g/mol. Its IUPAC name is 2-cyano-3-(1H-indazol-5-yl)-N,N-dimethylprop-2-enamide.

Molecular Properties

Compound Name2-cyano-3-(1H-indazol-5-yl)-N,N-dimethylprop-2-enamide
PubChem CID67207778
Molecular FormulaC13H12N4O
Molecular Weight240.27 g/mol
Exact Mass240.10
IUPAC Name2-cyano-3-(1H-indazol-5-yl)-N,N-dimethylprop-2-enamide
SMILESCN(C)C(=O)C(C#N)=Cc1ccc2[nH]ncc2c1
InChIInChI=1S/C13H12N4O/c1-17(2)13(18)10(7-14)5-9-3-4-12-11(6-9)8-15-16-12/h3-6,8H,1-2H3,(H,15,16)
InChIKeyFRHBBZWOHGDFFT-UHFFFAOYSA-N
XLogP1.56
TPSA72.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-3-(1H-indazol-5-yl)-2-(2-methylbenzoyl)prop-2-enenitrile
CID 167961084
(Z)-2-fluoro-3-(1H-indazol-5-yl)prop-2-enenitrile
CID 119090550
1H-indazole-5-carbaldehyde;(E)-3-(1H-indazol-5-yl)-2-(pyrrolidine-1-carbonyl)prop-2-enenitrile;3-oxo-3-pyrrolidin-1-ylpropanenitrile
CID 158890899
(Z)-2-cyano-3-(4-methoxyphenyl)-N,N-dimethylprop-2-enamide
CID 5375025
2-cyano-N,N-dimethyl-3-phenylprop-2-enamide
CID 71357997
(E)-2-cyano-N,N-dimethyl-3-(4-phenylphenyl)prop-2-enamide
CID 132546388
(E)-2-cyano-3-(4-methoxy-3-nitrophenyl)-N,N-dimethylprop-2-enamide
CID 1285852
(E)-3-anilino-2-(1H-indazole-5-carbonyl)prop-2-enenitrile
CID 163936740
N-[3-(1H-indazol-5-yl)prop-2-enyl]acetamide
CID 169465579
2-[(3-methoxy-1H-indazol-5-yl)methylidene]-3-oxobutanenitrile
CID 70494999
(E)-2-cyano-N,N-dimethyl-3-[4-(5H-pyrrolo[2,3-b]pyrazin-2-yloxy)phenyl]prop-2-enamide
CID 71014265
(E)-2-cyano-N,N-dimethyl-3-[3-(5H-pyrrolo[2,3-b]pyrazin-2-yloxy)phenyl]prop-2-enamide
CID 71014401

Frequently Asked Questions

What is the IUPAC name of 2-cyano-3-(1H-indazol-5-yl)-N,N-dimethylprop-2-enamide?
The IUPAC name of 2-cyano-3-(1H-indazol-5-yl)-N,N-dimethylprop-2-enamide (CID 67207778) is 2-cyano-3-(1H-indazol-5-yl)-N,N-dimethylprop-2-enamide.
What is the SMILES notation for 2-cyano-3-(1H-indazol-5-yl)-N,N-dimethylprop-2-enamide?
The canonical SMILES for 2-cyano-3-(1H-indazol-5-yl)-N,N-dimethylprop-2-enamide is CN(C)C(=O)C(C#N)=Cc1ccc2[nH]ncc2c1.
What is the InChIKey of 2-cyano-3-(1H-indazol-5-yl)-N,N-dimethylprop-2-enamide?
The InChIKey is FRHBBZWOHGDFFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O/c1-17(2)13(18)10(7-14)5-9-3-4-12-11(6-9)8-15-16-12/h3-6,8H,1-2H3,(H,15,16).
What are the key properties of 2-cyano-3-(1H-indazol-5-yl)-N,N-dimethylprop-2-enamide?
2-cyano-3-(1H-indazol-5-yl)-N,N-dimethylprop-2-enamide has a molecular weight of 240.27 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-3-(1H-indazol-5-yl)-N,N-dimethylprop-2-enamide is sourced from PubChem (CID 67207778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).