HHV

5-[(pyridin-3-ylmethyl)amino]-1H-pyrazole-4-carboxamide

Created:	2009-09-17
Last modified:	2011-06-04

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1 entries where HHV is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	27
Chiral Atom Count	0
Bond Count	28
Aromatic Bond Count	11

2D diagram of HHV

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Chemical Component Summary
Name	5-[(pyridin-3-ylmethyl)amino]-1H-pyrazole-4-carboxamide
Systematic Name (OpenEye OEToolkits)	5-(pyridin-3-ylmethylamino)-1H-pyrazole-4-carboxamide
Formula	C₁₀ H₁₁ N₅ O
Molecular Weight	217.227
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	11.02	O=C(c2c(NCc1cccnc1)nnc2)N
SMILES	CACTVS	3.352	NC(=O)c1cn[nH]c1NCc2cccnc2
SMILES	OpenEye OEToolkits	1.7.0	c1cc(cnc1)CNc2c(cn[nH]2)C(=O)N
Canonical SMILES	CACTVS	3.352	NC(=O)c1cn[nH]c1NCc2cccnc2
Canonical SMILES	OpenEye OEToolkits	1.7.0	c1cc(cnc1)CNc2c(cn[nH]2)C(=O)N
InChI	InChI	1.03	InChI=1S/C10H11N5O/c11-9(16)8-6-14-15-10(8)13-5-7-2-1-3-12-4-7/h1-4,6H,5H2,(H2,11,16)(H2,13,14,15)
InChIKey	InChI	1.03	LBLVYSJDBWSBHZ-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	4913258

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