RMM

(2E)-2-cyano-3-[3-(1H-pyrazol-4-yl)phenyl]prop-2-enamide

Created:	2013-09-09
Last modified:	2024-09-27

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1 entries where RMM is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	28
Chiral Atom Count	0
Bond Count	29
Aromatic Bond Count	11

2D diagram of RMM

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Chemical Component Summary
Name	(2E)-2-cyano-3-[3-(1H-pyrazol-4-yl)phenyl]prop-2-enamide
Systematic Name (OpenEye OEToolkits)	(E)-2-cyano-3-[3-(1H-pyrazol-4-yl)phenyl]prop-2-enamide
Formula	C₁₃ H₁₀ N₄ O
Molecular Weight	238.245
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	N#C/C(C(=O)N)=C\c1cccc(c1)c2cnnc2
SMILES	CACTVS	3.385	NC(=O)C(=Cc1cccc(c1)c2c[nH]nc2)C#N
SMILES	OpenEye OEToolkits	1.7.6	c1cc(cc(c1)c2c[nH]nc2)C=C(C#N)C(=O)N
Canonical SMILES	CACTVS	3.385	NC(=O)C(=C/c1cccc(c1)c2c[nH]nc2)/C#N
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1cc(cc(c1)c2c[nH]nc2)/C=C(\C#N)/C(=O)N
InChI	InChI	1.03	InChI=1S/C13H10N4O/c14-6-11(13(15)18)5-9-2-1-3-10(4-9)12-7-16-17-8-12/h1-5,7-8H,(H2,15,18)(H,16,17)/b11-5+
InChIKey	InChI	1.03	YCZXMEXRJXFIIS-VZUCSPMQSA-N

Related Resource References

Resource Name	Reference
PubChem	78341180

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