V5K

propan-2-yl 1~{H}-pyrazole-3-carboxylate

Created:	2023-02-22
Last modified:	2024-01-10

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1 entries where V5K is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	21
Chiral Atom Count	0
Bond Count	21
Aromatic Bond Count	5

2D diagram of V5K

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Chemical Component Summary
Name	propan-2-yl 1~{H}-pyrazole-3-carboxylate
Systematic Name (OpenEye OEToolkits)	propan-2-yl 1~{H}-pyrazole-3-carboxylate
Formula	C₇ H₁₀ N₂ O₂
Molecular Weight	154.166
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CC(C)OC(=O)c1cc[nH]n1
SMILES	OpenEye OEToolkits	2.0.7	CC(C)OC(=O)c1cc[nH]n1
Canonical SMILES	CACTVS	3.385	CC(C)OC(=O)c1cc[nH]n1
Canonical SMILES	OpenEye OEToolkits	2.0.7	CC(C)OC(=O)c1cc[nH]n1
InChI	InChI	1.06	InChI=1S/C7H10N2O2/c1-5(2)11-7(10)6-3-4-8-9-6/h3-5H,1-2H3,(H,8,9)
InChIKey	InChI	1.06	CBQRTLFASQYWAJ-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	14149250

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.