K4T

~{N}-cyclopropyl-2-methyl-5-phenyl-pyrazole-3-carboxamide

Created:	2019-04-24
Last modified:	2019-08-07

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1 entries where K4T is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	33
Chiral Atom Count	0
Bond Count	35
Aromatic Bond Count	11

2D diagram of K4T

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Chemical Component Summary
Name	~{N}-cyclopropyl-2-methyl-5-phenyl-pyrazole-3-carboxamide
Systematic Name (OpenEye OEToolkits)	~{N}-cyclopropyl-2-methyl-5-phenyl-pyrazole-3-carboxamide
Formula	C₁₄ H₁₅ N₃ O
Molecular Weight	241.288
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Cn1nc(cc1C(=O)NC2CC2)c3ccccc3
SMILES	OpenEye OEToolkits	2.0.7	Cn1c(cc(n1)c2ccccc2)C(=O)NC3CC3
Canonical SMILES	CACTVS	3.385	Cn1nc(cc1C(=O)NC2CC2)c3ccccc3
Canonical SMILES	OpenEye OEToolkits	2.0.7	Cn1c(cc(n1)c2ccccc2)C(=O)NC3CC3
InChI	InChI	1.03	InChI=1S/C14H15N3O/c1-17-13(14(18)15-11-7-8-11)9-12(16-17)10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3,(H,15,18)
InChIKey	InChI	1.03	YAWQTWUACTVACS-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	45497172

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