Q7E

(2R)-4-(1H-pyrazol-1-yl)butan-2-ol

Created:	2022-06-01
Last modified:	2023-12-20

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1 entries where Q7E is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	22
Chiral Atom Count	1
Bond Count	22
Aromatic Bond Count	5

2D diagram of Q7E

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Chemical Component Summary
Name	(2R)-4-(1H-pyrazol-1-yl)butan-2-ol
Systematic Name (OpenEye OEToolkits)	(2~{R})-4-pyrazol-1-ylbutan-2-ol
Formula	C₇ H₁₂ N₂ O
Molecular Weight	140.183
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	OC(C)CCn1cccn1
SMILES	CACTVS	3.385	C[CH](O)CCn1cccn1
SMILES	OpenEye OEToolkits	2.0.7	CC(CCn1cccn1)O
Canonical SMILES	CACTVS	3.385	C[C@@H](O)CCn1cccn1
Canonical SMILES	OpenEye OEToolkits	2.0.7	C[C@H](CCn1cccn1)O
InChI	InChI	1.03	InChI=1S/C7H12N2O/c1-7(10)3-6-9-5-2-4-8-9/h2,4-5,7,10H,3,6H2,1H3
InChIKey	InChI	1.03	JKIATZCBNIISLE-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	93982947

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.