N5B

N-(5-CYCLOPROPYL-1H-PYRAZOL-3-YL)BENZAMIDE

Created:	2004-05-07
Last modified:	2011-06-04

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1 entries where N5B is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	30
Chiral Atom Count	0
Bond Count	32
Aromatic Bond Count	11

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Chemical Component Summary
Name	N-(5-CYCLOPROPYL-1H-PYRAZOL-3-YL)BENZAMIDE
Systematic Name (OpenEye OEToolkits)	N-(5-cyclopropyl-2H-pyrazol-3-yl)benzamide
Formula	C₁₃ H₁₃ N₃ O
Molecular Weight	227.262
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(Nc1cc(nn1)C2CC2)c3ccccc3
SMILES	CACTVS	3.341	O=C(Nc1[nH]nc(c1)C2CC2)c3ccccc3
SMILES	OpenEye OEToolkits	1.5.0	c1ccc(cc1)C(=O)Nc2cc(n[nH]2)C3CC3
Canonical SMILES	CACTVS	3.341	O=C(Nc1[nH]nc(c1)C2CC2)c3ccccc3
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1ccc(cc1)C(=O)Nc2cc(n[nH]2)C3CC3
InChI	InChI	1.03	InChI=1S/C13H13N3O/c17-13(10-4-2-1-3-5-10)14-12-8-11(15-16-12)9-6-7-9/h1-5,8-9H,6-7H2,(H2,14,15,16,17)
InChIKey	InChI	1.03	LUCORKWTQSQFFU-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB02647
Name	N-(5-Cyclopropyl-1h-Pyrazol-3-Yl)Benzamide
Groups	experimental
Synonyms	N-(5-Cyclopropyl-1h-Pyrazol-3-Yl)Benzamide

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Cyclin-dependent kinase 2	MENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKIRLDTETEGVPSTAIR...	unknown	inhibitor

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682