A1CUV

(4S)-4-(prop-2-en-1-yl)-5-propyl-2,4-dihydro-3H-pyrazol-3-one

Created:	2025-09-22
Last modified:	2026-02-18

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1 entries where A1CUV is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	26
Chiral Atom Count	1
Bond Count	26
Aromatic Bond Count	0

2D diagram of A1CUV

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Chemical Component Summary
Name	(4S)-4-(prop-2-en-1-yl)-5-propyl-2,4-dihydro-3H-pyrazol-3-one
Systematic Name (OpenEye OEToolkits)	(4~{S})-4-prop-2-enyl-3-propyl-1,4-dihydropyrazol-5-one
Formula	C₉ H₁₄ N₂ O
Molecular Weight	166.22
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	14.52	CCCC1=NNC(=O)C1CC=C
SMILES	CACTVS	3.385	CCCC1=NNC(=O)[CH]1CC=C
SMILES	OpenEye OEToolkits	3.1.0.0	CCCC1=NNC(=O)C1CC=C
Canonical SMILES	CACTVS	3.385	CCCC1=NNC(=O)[C@H]1CC=C
Canonical SMILES	OpenEye OEToolkits	3.1.0.0	CCCC1=NNC(=O)[C@H]1CC=C
InChI	InChI	1.06	InChI=1S/C9H14N2O/c1-3-5-7-8(6-4-2)10-11-9(7)12/h3,7H,1,4-6H2,2H3,(H,11,12)/t7-/m0/s1
InChIKey	InChI	1.06	PWSMRCNUCWFXAH-ZETCQYMHSA-N

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.